N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide

C16H19NO2S — CID 52992676

IUPACN-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide
SMILESCC(O)(CCc1ccccc1)CNC(=O)c1ccsc1
InChIInChI=1S/C16H19NO2S/c1-16(19,9-7-13-5-3-2-4-6-13)12-17-15(18)14-8-10-20-11-14/h2-6,8,10-11,19H,7,9,12H2,1H3,(H,17,18)
InChIKeyVSIRPWGESCMBFQ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.86
Rot. Bonds6

About N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide

N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide (PubChem CID 52992676) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide
PubChem CID52992676
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide
SMILESCC(O)(CCc1ccccc1)CNC(=O)c1ccsc1
InChIInChI=1S/C16H19NO2S/c1-16(19,9-7-13-5-3-2-4-6-13)12-17-15(18)14-8-10-20-11-14/h2-6,8,10-11,19H,7,9,12H2,1H3,(H,17,18)
InChIKeyVSIRPWGESCMBFQ-UHFFFAOYSA-N
XLogP2.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide
CID 111485327
3-hydroxy-3-methyl-4-(thiophene-3-carbonylamino)butanoic acid
CID 66000914
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide
CID 90522939
N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide
CID 65110228
N-(2-methyl-2-phenylpropyl)thiophene-3-carboxamide
CID 39700914
N-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide
CID 66179515
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide
CID 90498445
N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide
CID 90498496
5-bromo-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]pyridine-3-carboxamide
CID 99873826
N-(4-phenylbutan-2-yl)thiophene-3-carboxamide
CID 78803823
N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1,3-benzothiazole-6-carboxamide
CID 99873823
N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide
CID 115364717

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide (CID 52992676) is N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide is CC(O)(CCc1ccccc1)CNC(=O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide?
The InChIKey is VSIRPWGESCMBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-16(19,9-7-13-5-3-2-4-6-13)12-17-15(18)14-8-10-20-11-14/h2-6,8,10-11,19H,7,9,12H2,1H3,(H,17,18).
What are the key properties of N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide?
N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide is sourced from PubChem (CID 52992676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).