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Chemical ID: 7249726

Chemical ID:

7249726

Name [?]:

N-(3,4-dimethoxyphenyl)-3-methyl-thiophene-2-carboxamide

SMILES [?]:

Cc1ccsc1C(=O)Nc2ccc(c(c2)OC)OC

InChi [?]:

InChI=1/C14H15NO3S/c1-9-6-7-19-13(9)14(16)15-10-4-5-11(17-2)12(8-10)18-3/h4-8H,1-3H3,(H,15,16)

InChi Info:

AuxInfo=1/1/N:1,19,17,11,12,3,4,15,2,10,13,14,6,7,9,8,18,16,5/rA:19nCCCCSCCONCCCCCCOCOC/rB:s1;s2;d3;s4;d2s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₅NO₃S
All Atoms:	34
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	6.75851
Area:	462.138
Solvation:	-4.79494
Coulombic:	-36.1247

Bond Count [?]

All:	20
Single:	14
Double:	6
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	277.34
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	1.72
LogP (Chemaxon):	2.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value