5-phenyl-2-(propanoylamino)thiophene-3-carboxamide

C14H14N2O2S — CID 16857869

IUPAC5-phenyl-2-(propanoylamino)thiophene-3-carboxamide
SMILESCCC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O
InChIInChI=1S/C14H14N2O2S/c1-2-12(17)16-14-10(13(15)18)8-11(19-14)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,15,18)(H,16,17)
InChIKeyYXDFWXLOESFLJI-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.86
Rot. Bonds4

About 5-phenyl-2-(propanoylamino)thiophene-3-carboxamide

5-phenyl-2-(propanoylamino)thiophene-3-carboxamide (PubChem CID 16857869) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 5-phenyl-2-(propanoylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-2-(propanoylamino)thiophene-3-carboxamide
PubChem CID16857869
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name5-phenyl-2-(propanoylamino)thiophene-3-carboxamide
SMILESCCC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O
InChIInChI=1S/C14H14N2O2S/c1-2-12(17)16-14-10(13(15)18)8-11(19-14)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,15,18)(H,16,17)
InChIKeyYXDFWXLOESFLJI-UHFFFAOYSA-N
XLogP2.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tpca-1
CID 9903786
2-((Cyclopropylcarbonyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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CID 703965
N,N-Diethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1190625
(5R)-N,N-Diethyl-5-methyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16122638
6-Tert-butyl-2-[(2,6-difluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3604361
5-Phenyl-2-Ureidothiophene-3-Carboxamide
CID 6419765
3-(Carbamoylamino)-5-Phenylthiophene-2-Carboxamide
CID 10220851
2-(Carbamoylamino)-5-Phenyl-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11313946
2-(2-(Benzo[b]thiophen-3-yl)acetamido)thiophene-3-carboxamide
CID 46926788
2-[(2-Fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 700253
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CID 678544

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(propanoylamino)thiophene-3-carboxamide?
The IUPAC name of 5-phenyl-2-(propanoylamino)thiophene-3-carboxamide (CID 16857869) is 5-phenyl-2-(propanoylamino)thiophene-3-carboxamide.
What is the SMILES notation for 5-phenyl-2-(propanoylamino)thiophene-3-carboxamide?
The canonical SMILES for 5-phenyl-2-(propanoylamino)thiophene-3-carboxamide is CCC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O.
What is the InChIKey of 5-phenyl-2-(propanoylamino)thiophene-3-carboxamide?
The InChIKey is YXDFWXLOESFLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-2-12(17)16-14-10(13(15)18)8-11(19-14)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 5-phenyl-2-(propanoylamino)thiophene-3-carboxamide?
5-phenyl-2-(propanoylamino)thiophene-3-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(propanoylamino)thiophene-3-carboxamide is sourced from PubChem (CID 16857869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).