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Chemical ID: 6795147

Chemical ID:

6795147

Name [?]:

N-[2-(sec-butylcarbamoyl)ethyl]thiophene-2-carboxamide

SMILES [?]:

CCC(C)NC(=O)CCNC(=O)c1cccs1

InChi [?]:

InChI=1/C12H18N2O2S/c1-3-9(2)14-11(15)6-7-13-12(16)10-5-4-8-17-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,16)(H,14,15)

InChi Info:

AuxInfo=1/1/N:1,4,2,15,14,8,9,16,3,13,6,11,10,5,7,12,17/rA:17cCCCCNCOCCNCOCCCCS/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;d11;s11;d13;s14;d15;s13s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₈N₂O₂S
All Atoms:	35
Heavy Atoms:	17
Chiral Atoms:	1

ZAP Information [?]

Total:	9.20179
Area:	474.347
Solvation:	-2.65689
Coulombic:	-43.001

Bond Count [?]

All:	17
Single:	13
Double:	4
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	254.35
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	1.02
LogP (Chemaxon):	0.69

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