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Chemical ID: 4184692

Chemical ID:

4184692

Name [?]:

N-[2-methoxy-5-(phenylcarbamoyl)phenyl]thiophene-2-carboxamide

SMILES [?]:

COc1ccc(cc1NC(=O)c2cccs2)C(=O)Nc3ccccc3

InChi [?]:

InChI=1/C19H16N2O3S/c1-24-16-10-9-13(18(22)20-14-6-3-2-4-7-14)12-15(16)21-19(23)17-8-5-11-25-17/h2-12H,1H3,(H,20,22)(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,23,22,24,14,21,25,13,5,4,15,7,6,20,8,3,12,17,10,19,9,18,11,2,16/E:(3,4)(6,7)/rA:25nCOCCCCCCNCOCCCCSCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;d12;s13;d14;s12s15;s6;d17;s17;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₆N₂O₃S
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	10.0433
Area:	564.235
Solvation:	-4.06255
Coulombic:	-51.9097

Bond Count [?]

All:	27
Single:	17
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	352.408
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	2.9
LogP (Chemaxon):	3.32

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value