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Chemical ID: 5819068

Chemical ID:

5819068

Name [?]:

N-(2-methoxy-5-methyl-phenyl)thiophene-2-carboxamide

SMILES [?]:

Cc1ccc(c(c1)NC(=O)c2cccs2)OC

InChi [?]:

InChI=1/C13H13NO2S/c1-9-5-6-11(16-2)10(8-9)14-13(15)12-4-3-7-17-12/h3-8H,1-2H3,(H,14,15)

InChi Info:

AuxInfo=1/1/N:1,17,13,12,3,4,14,7,2,6,5,11,9,8,10,16,15/rA:17nCCCCCCCNCOCCCCSOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s12;d13;s11s14;s5;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₃NO₂S
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	8.17258
Area:	429.29
Solvation:	-2.55967
Coulombic:	-30.8673

Bond Count [?]

All:	18
Single:	12
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	247.314
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.37
LogP (Chemaxon):	2.73

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