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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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Experimental Annotations
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Descriptor Annotations
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