2-(3-phenylpropanoylamino)thiophene-3-carboxamide

C14H14N2O2S — CID 2970548

IUPAC2-(3-phenylpropanoylamino)thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CCc1ccccc1
InChIInChI=1S/C14H14N2O2S/c15-13(18)11-8-9-19-14(11)16-12(17)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,15,18)(H,16,17)
InChIKeyMRHYPLORPSPYDS-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.42
Rot. Bonds5

About 2-(3-phenylpropanoylamino)thiophene-3-carboxamide

2-(3-phenylpropanoylamino)thiophene-3-carboxamide (PubChem CID 2970548) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-(3-phenylpropanoylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(3-phenylpropanoylamino)thiophene-3-carboxamide
PubChem CID2970548
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name2-(3-phenylpropanoylamino)thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CCc1ccccc1
InChIInChI=1S/C14H14N2O2S/c15-13(18)11-8-9-19-14(11)16-12(17)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,15,18)(H,16,17)
InChIKeyMRHYPLORPSPYDS-UHFFFAOYSA-N
XLogP2.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tpca-1
CID 9903786
2-Amino-5-phenylthiophene-3-carboxamide
CID 703965
N-(4-methylphenyl)thiophene-2-carboxamide
CID 2292972
N,N-Diethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1190625
5-Phenyl-2-Ureidothiophene-3-Carboxamide
CID 6419765
3-(Carbamoylamino)-5-Phenylthiophene-2-Carboxamide
CID 10220851
(5R)-N,N-Diethyl-5-methyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16122638
N-(2-Ethylphenyl)-2-thiophenecarboxamide
CID 765411
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
2-Benzamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 678544

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropanoylamino)thiophene-3-carboxamide?
The IUPAC name of 2-(3-phenylpropanoylamino)thiophene-3-carboxamide (CID 2970548) is 2-(3-phenylpropanoylamino)thiophene-3-carboxamide.
What is the SMILES notation for 2-(3-phenylpropanoylamino)thiophene-3-carboxamide?
The canonical SMILES for 2-(3-phenylpropanoylamino)thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CCc1ccccc1.
What is the InChIKey of 2-(3-phenylpropanoylamino)thiophene-3-carboxamide?
The InChIKey is MRHYPLORPSPYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c15-13(18)11-8-9-19-14(11)16-12(17)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,15,18)(H,16,17).
What are the key properties of 2-(3-phenylpropanoylamino)thiophene-3-carboxamide?
2-(3-phenylpropanoylamino)thiophene-3-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropanoylamino)thiophene-3-carboxamide is sourced from PubChem (CID 2970548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).