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Chemical ID: 3954015

Chemical ID:

3954015

Name [?]:

N-(2,3-dimethylphenyl)-2-(2-thienylmethylamino)acetamide

SMILES [?]:

Cc1cccc(c1C)NC(=O)CNCc2cccs2

InChi [?]:

InChI=1/C15H18N2OS/c1-11-5-3-7-14(12(11)2)17-15(18)10-16-9-13-6-4-8-19-13/h3-8,16H,9-10H2,1-2H3,(H,17,18)

InChi Info:

AuxInfo=1/1/N:1,8,4,17,3,16,5,18,14,12,2,7,15,6,10,13,9,11,19/rA:19nCCCCCCCCNCOCNCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₈N₂OS
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	9.17313
Area:	489.355
Solvation:	-3.06075
Coulombic:	-30.0332

Bond Count [?]

All:	20
Single:	14
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	274.382
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	2.0
LogP (Chemaxon):	2.35

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value