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Chemical ID: 5976250

Chemical ID:

5976250

Name [?]:

N-[4-dimethylamino-3-(propylcarbamoyl)phenyl]thiophene-2-carboxamide

SMILES [?]:

CCCNC(=O)c1cc(ccc1N(C)C)NC(=O)c2cccs2

InChi [?]:

InChI=1/C17H21N3O2S/c1-4-9-18-16(21)13-11-12(7-8-14(13)20(2)3)19-17(22)15-6-5-10-23-15/h5-8,10-11H,4,9H2,1-3H3,(H,18,21)(H,19,22)

InChi Info:

AuxInfo=1/1/N:1,14,15,2,21,20,10,11,3,22,8,9,7,12,19,5,17,4,16,13,6,18,23/E:(2,3)/rA:23nCCCNCOCCCCCCNCCNCOCCCCS/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;s13;s9;s16;d17;s17;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₁N₃O₂S
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3526
Area:	557.813
Solvation:	-3.59269
Coulombic:	-49.4538

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	331.434
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	2.41
LogP (Chemaxon):	2.49

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