5-[1-[(2-phenylacetyl)amino]ethyl]thiophene-2-carboxamide

C15H16N2O2S — CID 123196346

IUPAC5-[1-[(2-phenylacetyl)amino]ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)Cc1ccccc1)c1ccc(C(N)=O)s1
InChIInChI=1S/C15H16N2O2S/c1-10(12-7-8-13(20-12)15(16)19)17-14(18)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H2,16,19)(H,17,18)
InChIKeyGPJIKYXDBMAIAY-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.27
Rot. Bonds5

About 5-[1-[(2-phenylacetyl)amino]ethyl]thiophene-2-carboxamide

5-[1-[(2-phenylacetyl)amino]ethyl]thiophene-2-carboxamide (PubChem CID 123196346) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-[1-[(2-phenylacetyl)amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-[(2-phenylacetyl)amino]ethyl]thiophene-2-carboxamide
PubChem CID123196346
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name5-[1-[(2-phenylacetyl)amino]ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)Cc1ccccc1)c1ccc(C(N)=O)s1
InChIInChI=1S/C15H16N2O2S/c1-10(12-7-8-13(20-12)15(16)19)17-14(18)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H2,16,19)(H,17,18)
InChIKeyGPJIKYXDBMAIAY-UHFFFAOYSA-N
XLogP2.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-phenylacetyl)amino]propanamide
CID 15719285
(2R)-2-[(2-phenylacetyl)amino]propanamide
CID 15719286
N-[1-(2-methylphenyl)ethyl]-2-phenylacetamide
CID 59082083
2-[(2-phenylacetyl)amino]propanediamide
CID 122164047
4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide
CID 63324335
2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide
CID 107863936
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 81408318
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride
CID 119287389
2-(4-carbamothioylphenyl)-N-(1-phenylethyl)acetamide
CID 63589427
2-anilino-N-[1-(5-methylthiophen-2-yl)ethyl]acetamide
CID 61477645

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-phenylacetyl)amino]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-[1-[(2-phenylacetyl)amino]ethyl]thiophene-2-carboxamide (CID 123196346) is 5-[1-[(2-phenylacetyl)amino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-[(2-phenylacetyl)amino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[1-[(2-phenylacetyl)amino]ethyl]thiophene-2-carboxamide is CC(NC(=O)Cc1ccccc1)c1ccc(C(N)=O)s1.
What is the InChIKey of 5-[1-[(2-phenylacetyl)amino]ethyl]thiophene-2-carboxamide?
The InChIKey is GPJIKYXDBMAIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10(12-7-8-13(20-12)15(16)19)17-14(18)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of 5-[1-[(2-phenylacetyl)amino]ethyl]thiophene-2-carboxamide?
5-[1-[(2-phenylacetyl)amino]ethyl]thiophene-2-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-phenylacetyl)amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 123196346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).