5-acetyl-N-[(2S)-2-phenylpropyl]thiophene-2-carboxamide

C16H17NO2S — CID 9090014

IUPAC5-acetyl-N-[(2S)-2-phenylpropyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NC[C@@H](C)c2ccccc2)s1
InChIInChI=1S/C16H17NO2S/c1-11(13-6-4-3-5-7-13)10-17-16(19)15-9-8-14(20-15)12(2)18/h3-9,11H,10H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyZZCCSMKVKQJHHP-LLVKDONJSA-N
MW287.38 g/mol
LogP3.48
Rot. Bonds5

About 5-acetyl-N-[(2S)-2-phenylpropyl]thiophene-2-carboxamide

5-acetyl-N-[(2S)-2-phenylpropyl]thiophene-2-carboxamide (PubChem CID 9090014) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 5-acetyl-N-[(2S)-2-phenylpropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(2S)-2-phenylpropyl]thiophene-2-carboxamide
PubChem CID9090014
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name5-acetyl-N-[(2S)-2-phenylpropyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NC[C@@H](C)c2ccccc2)s1
InChIInChI=1S/C16H17NO2S/c1-11(13-6-4-3-5-7-13)10-17-16(19)15-9-8-14(20-15)12(2)18/h3-9,11H,10H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyZZCCSMKVKQJHHP-LLVKDONJSA-N
XLogP3.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-(2-phenylpropyl)thiophene-2-carboxamide
CID 104592147
bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide
CID 175348879
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
5-acetyl-N-(3-phenylpropyl)thiophene-2-carboxamide
CID 36843403
5-acetyl-N-[(1S)-1-(4-phenylphenyl)ethyl]thiophene-2-carboxamide
CID 39996366
5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide
CID 78948957
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
5-nitro-N-[(2R)-2-phenylpropyl]-1-benzothiophene-2-carboxamide
CID 9456895
5-nitro-N-(2-phenylpropyl)-1-benzothiophene-2-carboxamide
CID 46635237
N-[(2R)-2-phenylpropyl]pyridine-2-carboxamide
CID 9302014
3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide
CID 47220275
2-amino-N-(2-phenylpropyl)propanamide
CID 60703339

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(2S)-2-phenylpropyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[(2S)-2-phenylpropyl]thiophene-2-carboxamide (CID 9090014) is 5-acetyl-N-[(2S)-2-phenylpropyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(2S)-2-phenylpropyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[(2S)-2-phenylpropyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)NC[C@@H](C)c2ccccc2)s1.
What is the InChIKey of 5-acetyl-N-[(2S)-2-phenylpropyl]thiophene-2-carboxamide?
The InChIKey is ZZCCSMKVKQJHHP-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-11(13-6-4-3-5-7-13)10-17-16(19)15-9-8-14(20-15)12(2)18/h3-9,11H,10H2,1-2H3,(H,17,19)/t11-/m1/s1.
What are the key properties of 5-acetyl-N-[(2S)-2-phenylpropyl]thiophene-2-carboxamide?
5-acetyl-N-[(2S)-2-phenylpropyl]thiophene-2-carboxamide has a molecular weight of 287.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(2S)-2-phenylpropyl]thiophene-2-carboxamide is sourced from PubChem (CID 9090014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).