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Chemical ID: 6025480

CCOCCCN(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(=O)c3cccs3

Chemical ID:

6025480

Name [?]:

N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide

SMILES [?]:

CCOCCCN(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(=O)c3cccs3

InChi [?]:

InChI=1/C25H30N2O3S2/c1-3-30-14-8-13-26(25(29)22-11-7-15-31-22)19-24(28)27(17-21-9-5-4-6-10-21)18-23-20(2)12-16-32-23/h4-7,9-12,15-16H,3,8,13-14,17-19H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,25,2,16,15,17,30,5,14,18,29,22,6,4,31,23,12,19,8,21,13,28,20,9,26,7,11,10,27,3,32,24/E:(5,6)(9,10)/rA:32nCCOCCCNCCONCCCCCCCCCCCCSCCOCCCCS/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s11;s19;d20;s21;d22;s20s23;s21;s7;d26;s26;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₀N₂O₃S₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.9715
Area:	675.968
Solvation:	-4.92767
Coulombic:	-44.7599

Bond Count [?]

All:	34
Single:	25
Double:	9
Rotors:	14
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	470.649
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	3.13
LogP (Chemaxon):	3.44

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value