Chemical ID: 7114143

Cc1ccc(s1)CNc2cccc(c2)NC(=O)CC(C)C
Chemical ID:
7114143
Name [?]:
3-methyl-N-[3-[(5-methyl-2-thienyl)methylamino]phenyl]-butanamide
SMILES [?]:
Cc1ccc(s1)CNc2cccc(c2)NC(=O)CC(C)C
InChi [?]:
InChI=1/C17H22N2OS/c1-12(2)9-17(20)19-15-6-4-5-14(10-15)18-11-16-8-7-13(3)21-16/h4-8,10,12,18H,9,11H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:20,21,1,11,10,12,3,4,18,14,7,19,2,9,13,5,16,8,15,17,6/E:(1,2)/rA:21nCCCCCSCNCCCCCCNCOCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;d16;s16;s18;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2OS
All Atoms:43
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:11.0328
Area:538.445
Solvation:-2.42828
Coulombic:-33.2571
Bond Count [?]
All:22
Single:16
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:302.435
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.88
LogP (Chemaxon):3.49

Name Annotations

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

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

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

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

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

Chemical MixSourceExternal IDDescriptorValue