5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide

C13H12ClNO2S — CID 63182495

IUPAC5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide
SMILESO=C(NC(CO)c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C13H12ClNO2S/c14-12-7-6-11(18-12)13(17)15-10(8-16)9-4-2-1-3-5-9/h1-7,10,16H,8H2,(H,15,17)
InChIKeyCJOSZLGKRZQAGG-UHFFFAOYSA-N
MW281.76 g/mol
LogP2.86
Rot. Bonds4

About 5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide

5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide (PubChem CID 63182495) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide
PubChem CID63182495
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Name5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide
SMILESO=C(NC(CO)c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C13H12ClNO2S/c14-12-7-6-11(18-12)13(17)15-10(8-16)9-4-2-1-3-5-9/h1-7,10,16H,8H2,(H,15,17)
InChIKeyCJOSZLGKRZQAGG-UHFFFAOYSA-N
XLogP2.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chlorothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43092663
N-(2-bromo-1-phenylethyl)-5-chlorothiophene-2-carboxamide
CID 113274761
N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-carboxamide
CID 63184449
5-chloro-N-(1,4-dihydroxy-4-phenylbutan-2-yl)thiophene-2-carboxamide
CID 122158938
5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
N-(2-hydroxy-1-phenylethyl)-5-nitrothiophene-2-carboxamide
CID 63182470
5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide
CID 55169960
(2S)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 41250495
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide
CID 79030843
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-benzamido-3-phenylpropanoate
CID 16503859
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide (CID 63182495) is 5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide is O=C(NC(CO)c1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide?
The InChIKey is CJOSZLGKRZQAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c14-12-7-6-11(18-12)13(17)15-10(8-16)9-4-2-1-3-5-9/h1-7,10,16H,8H2,(H,15,17).
What are the key properties of 5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide?
5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide has a molecular weight of 281.76 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 63182495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).