N-(1-hydroxy-1-phenylpropan-2-yl)thiophene-2-carboxamide

C14H15NO2S — CID 4122342

IUPACN-(1-hydroxy-1-phenylpropan-2-yl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(O)c1ccccc1
InChIInChI=1S/C14H15NO2S/c1-10(13(16)11-6-3-2-4-7-11)15-14(17)12-8-5-9-18-12/h2-10,13,16H,1H3,(H,15,17)
InChIKeyWLJMMKJVLPWBPS-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.60
Rot. Bonds4

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

N-(1-hydroxy-1-phenylpropan-2-yl)thiophene-2-carboxamide (PubChem CID 4122342) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(1-hydroxy-1-phenylpropan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-1-phenylpropan-2-yl)thiophene-2-carboxamide
PubChem CID4122342
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC NameN-(1-hydroxy-1-phenylpropan-2-yl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(O)c1ccccc1
InChIInChI=1S/C14H15NO2S/c1-10(13(16)11-6-3-2-4-7-11)15-14(17)12-8-5-9-18-12/h2-10,13,16H,1H3,(H,15,17)
InChIKeyWLJMMKJVLPWBPS-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]thiophene-2-carboxamide
CID 794769
(3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 969744
N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide
CID 114300019
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide
CID 154861680
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
N-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide
CID 95151159
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 119527410
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
2-oxo-N-(1-phenylethyl)-2-thiophen-2-ylacetamide
CID 82121215
2-methyl-6-(thiophene-2-carbonylamino)heptanoic acid
CID 65285828
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-2-carboxamide
CID 103798681

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)thiophene-2-carboxamide (CID 4122342) is N-(1-hydroxy-1-phenylpropan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-1-phenylpropan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-1-phenylpropan-2-yl)thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(O)c1ccccc1.
What is the InChIKey of N-(1-hydroxy-1-phenylpropan-2-yl)thiophene-2-carboxamide?
The InChIKey is WLJMMKJVLPWBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10(13(16)11-6-3-2-4-7-11)15-14(17)12-8-5-9-18-12/h2-10,13,16H,1H3,(H,15,17).
What are the key properties of N-(1-hydroxy-1-phenylpropan-2-yl)thiophene-2-carboxamide?
N-(1-hydroxy-1-phenylpropan-2-yl)thiophene-2-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-1-phenylpropan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 4122342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).