5-(cyclopropanecarbonylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide

C17H17FN2O2S — CID 25487382

IUPAC5-(cyclopropanecarbonylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O2S/c1-10(11-4-6-13(18)7-5-11)19-17(22)14-8-9-15(23-14)20-16(21)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,19,22)(H,20,21)/t10-/m0/s1
InChIKeyHYNAFMXPYBYQPO-JTQLQIEISA-N
MW332.40 g/mol
LogP3.73
Rot. Bonds5

About 5-(cyclopropanecarbonylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide (PubChem CID 25487382) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
PubChem CID25487382
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC Name5-(cyclopropanecarbonylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O2S/c1-10(11-4-6-13(18)7-5-11)19-17(22)14-8-9-15(23-14)20-16(21)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,19,22)(H,20,21)/t10-/m0/s1
InChIKeyHYNAFMXPYBYQPO-JTQLQIEISA-N
XLogP3.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclobutyl-(4-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 86891991
5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide
CID 18135400
5-(cyclopropanecarbonylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide
CID 103722934
5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)thiophene-2-carboxamide
CID 43418626
methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate
CID 60712496
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid
CID 43172671
N-[5-[1-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46512347
5-(cyclopropanecarbonylamino)-N-[1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 42889154
5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 42928444
N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 46763137
2-(4-fluorophenyl)ethyl 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate
CID 86937892
5-(cyclopropanecarbonylamino)-N-(4-methyl-4-phenylpentan-2-yl)thiophene-2-carboxamide
CID 86848327

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide (CID 25487382) is 5-(cyclopropanecarbonylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide is C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(F)cc1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is HYNAFMXPYBYQPO-JTQLQIEISA-N. The full InChI is InChI=1S/C17H17FN2O2S/c1-10(11-4-6-13(18)7-5-11)19-17(22)14-8-9-15(23-14)20-16(21)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,19,22)(H,20,21)/t10-/m0/s1.
What are the key properties of 5-(cyclopropanecarbonylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 25487382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).