5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide

C13H12ClNOS — CID 9330177

IUPAC5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C13H12ClNOS/c1-9(10-5-3-2-4-6-10)15-13(16)11-7-8-12(14)17-11/h2-9H,1H3,(H,15,16)/t9-/m0/s1
InChIKeyRPKPLIRQGQWXKA-VIFPVBQESA-N
MW265.77 g/mol
LogP3.89
Rot. Bonds3

About 5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide

5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide (PubChem CID 9330177) has the molecular formula C13H12ClNOS and a molecular weight of 265.77 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
PubChem CID9330177
Molecular FormulaC13H12ClNOS
Molecular Weight265.77 g/mol
Exact Mass265.03
IUPAC Name5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C13H12ClNOS/c1-9(10-5-3-2-4-6-10)15-13(16)11-7-8-12(14)17-11/h2-9H,1H3,(H,15,16)/t9-/m0/s1
InChIKeyRPKPLIRQGQWXKA-VIFPVBQESA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiophene-2-carboxamide
CID 26957732
5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47097917
4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide
CID 46652279
5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide
CID 63182495
3-[(5-chlorothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43092663
N-(2-bromo-1-phenylethyl)-5-chlorothiophene-2-carboxamide
CID 113274761
5-acetyl-N-[(1S)-1-(4-phenylphenyl)ethyl]thiophene-2-carboxamide
CID 39996366
5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide
CID 78846553
N-(1-aminopropan-2-yl)-5-chlorothiophene-2-carboxamide
CID 63733398
5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide
CID 79030843
5-chloro-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 9418965
5-chloro-N-(1,4-dihydroxy-4-phenylbutan-2-yl)thiophene-2-carboxamide
CID 122158938

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide (CID 9330177) is 5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide is C[C@H](NC(=O)c1ccc(Cl)s1)c1ccccc1.
What is the InChIKey of 5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide?
The InChIKey is RPKPLIRQGQWXKA-VIFPVBQESA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-9(10-5-3-2-4-6-10)15-13(16)11-7-8-12(14)17-11/h2-9H,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide?
5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide has a molecular weight of 265.77 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 9330177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).