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Chemical ID: 5919150

CCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)NCC

Chemical ID:

5919150

Name [?]:

2-(butyl-(ethylcarbamoyl)amino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-thienylmethyl)acetamide

SMILES [?]:

CCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)NCC

InChi [?]:

InChI=1/C24H35N3O4S/c1-5-7-13-27(24(29)25-6-2)18-23(28)26(17-20-9-8-15-32-20)14-12-19-10-11-21(30-3)22(16-19)31-4/h8-11,15-16H,5-7,12-14,17-18H2,1-4H3,(H,25,29)

InChi Info:

AuxInfo=1/1/N:1,32,21,19,2,31,3,25,24,13,14,11,4,10,26,17,22,6,12,23,15,16,7,28,30,9,5,8,29,20,18,27/rA:32nCCCCNCCONCCCCCCCCOCOCCCCCCSCONCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s9;s22;d23;s24;d25;s23s26;s5;d28;s28;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₅N₃O₄S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8277
Area:	748.294
Solvation:	-6.87965
Coulombic:	-62.5677

Bond Count [?]

All:	33
Single:	26
Double:	7
Rotors:	16
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	461.619
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	2.78
LogP (Chemaxon):	2.87

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