5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide

C14H14ClNO2S — CID 55169960

IUPAC5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide
SMILESO=C(NC(CO)Cc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClNO2S/c15-13-7-6-12(19-13)14(18)16-11(9-17)8-10-4-2-1-3-5-10/h1-7,11,17H,8-9H2,(H,16,18)
InChIKeyZLRZIFQLTQPMHT-UHFFFAOYSA-N
MW295.79 g/mol
LogP2.73
Rot. Bonds5

About 5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide

5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide (PubChem CID 55169960) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide
PubChem CID55169960
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide
SMILESO=C(NC(CO)Cc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClNO2S/c15-13-7-6-12(19-13)14(18)16-11(9-17)8-10-4-2-1-3-5-10/h1-7,11,17H,8-9H2,(H,16,18)
InChIKeyZLRZIFQLTQPMHT-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 95040081
(2S)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 41250495
5-chloro-N-(1,4-dihydroxy-4-phenylbutan-2-yl)thiophene-2-carboxamide
CID 122158938
5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide
CID 63182495
5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
CID 61247076
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
5-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 114010232
5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80618194
(E)-3-(5-chlorothiophen-2-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide
CID 102673587
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide
CID 15660575
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide (CID 55169960) is 5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide is O=C(NC(CO)Cc1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide?
The InChIKey is ZLRZIFQLTQPMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c15-13-7-6-12(19-13)14(18)16-11(9-17)8-10-4-2-1-3-5-10/h1-7,11,17H,8-9H2,(H,16,18).
What are the key properties of 5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide?
5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide has a molecular weight of 295.79 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 55169960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).