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Chemical ID: 6025454

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

Chemical ID:

6025454

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C24H28N2O2S2/c1-3-4-13-25(24(28)21-11-8-14-29-21)18-23(27)26(16-20-9-6-5-7-10-20)17-22-19(2)12-15-30-22/h5-12,14-15H,3-4,13,16-18H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,23,2,3,14,13,15,28,12,16,27,20,4,29,21,10,17,6,19,11,26,18,7,24,5,9,8,25,30,22/E:(6,7)(9,10)/rA:30nCCCCNCCONCCCCCCCCCCCCSCCOCCCCS/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s9;s17;d18;s19;d20;s18s21;s19;s5;d24;s24;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₈N₂O₂S₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.3357
Area:	626.955
Solvation:	-3.33814
Coulombic:	-37.903

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	440.623
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.88
LogP (Chemaxon):	4.42

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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