5-acetyl-N-[(1S)-1-(4-phenylphenyl)ethyl]thiophene-2-carboxamide

C21H19NO2S — CID 39996366

IUPAC5-acetyl-N-[(1S)-1-(4-phenylphenyl)ethyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C21H19NO2S/c1-14(22-21(24)20-13-12-19(25-20)15(2)23)16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeyJJDSSNIKQHVYQZ-AWEZNQCLSA-N
MW349.46 g/mol
LogP5.11
Rot. Bonds5

About 5-acetyl-N-[(1S)-1-(4-phenylphenyl)ethyl]thiophene-2-carboxamide

5-acetyl-N-[(1S)-1-(4-phenylphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 39996366) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 5-acetyl-N-[(1S)-1-(4-phenylphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(1S)-1-(4-phenylphenyl)ethyl]thiophene-2-carboxamide
PubChem CID39996366
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC Name5-acetyl-N-[(1S)-1-(4-phenylphenyl)ethyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C21H19NO2S/c1-14(22-21(24)20-13-12-19(25-20)15(2)23)16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeyJJDSSNIKQHVYQZ-AWEZNQCLSA-N
XLogP5.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
2-methyl-N-[1-(4-phenylphenyl)ethyl]propanamide
CID 43011131
(2S)-2-[(5-acetylthiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 119360555
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711
5-[1-[4-(trifluoromethylsulfanyl)phenyl]ethylcarbamoyl]thiophene-2-carboxylic acid
CID 141127456
5-acetyl-N-[(2S)-2-phenylpropyl]thiophene-2-carboxamide
CID 9090014
5-acetyl-N-[(1R)-2-(dimethylamino)-1-phenylethyl]thiophene-2-carboxamide
CID 8938472
methyl (2S)-2-[(5-acetylthiophene-2-carbonyl)amino]-3-phenylpropanoate
CID 18104502
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide
CID 47097752
5-[1-[3-(2-chlorophenyl)phenyl]ethylcarbamoyl]thiophene-2-carboxylic acid
CID 69490279
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
3-methyl-N-[(1S)-1-(4-phenylphenyl)ethyl]-1,2-thiazole-4-carboxamide
CID 97255775

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(1S)-1-(4-phenylphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[(1S)-1-(4-phenylphenyl)ethyl]thiophene-2-carboxamide (CID 39996366) is 5-acetyl-N-[(1S)-1-(4-phenylphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(1S)-1-(4-phenylphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[(1S)-1-(4-phenylphenyl)ethyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)s1.
What is the InChIKey of 5-acetyl-N-[(1S)-1-(4-phenylphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is JJDSSNIKQHVYQZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H19NO2S/c1-14(22-21(24)20-13-12-19(25-20)15(2)23)16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,22,24)/t14-/m0/s1.
What are the key properties of 5-acetyl-N-[(1S)-1-(4-phenylphenyl)ethyl]thiophene-2-carboxamide?
5-acetyl-N-[(1S)-1-(4-phenylphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(1S)-1-(4-phenylphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 39996366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).