N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide

C15H17NO2S — CID 65110113

IUPACN-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C15H17NO2S/c1-15(2,18)10-16-14(17)13-12(8-9-19-13)11-6-4-3-5-7-11/h3-9,18H,10H2,1-2H3,(H,16,17)
InChIKeyBNDYPQQQMLZNDV-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.92
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide

N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide (PubChem CID 65110113) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide
PubChem CID65110113
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C15H17NO2S/c1-15(2,18)10-16-14(17)13-12(8-9-19-13)11-6-4-3-5-7-11/h3-9,18H,10H2,1-2H3,(H,16,17)
InChIKeyBNDYPQQQMLZNDV-UHFFFAOYSA-N
XLogP2.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-3-phenylthiophene-2-carboxamide
CID 65112605
N-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide
CID 119641993
N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide
CID 111480141
N-tert-butyl-3-phenylthiophene-2-carboxamide
CID 60629670
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide
CID 106180732
N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide
CID 119497469
N-[2-(benzenesulfonyl)ethyl]-3-phenylthiophene-2-carboxamide
CID 60515488
N-but-3-enyl-3-phenylthiophene-2-carboxamide
CID 113465989
tert-butyl N-cyclopropyl-N-[3-[(3-phenylthiophene-2-carbonyl)amino]propyl]carbamate
CID 60518663
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide
CID 26958695
N-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide
CID 62519290
N-(4-phenoxybutyl)-3-phenylthiophene-2-carboxamide
CID 31671521

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide (CID 65110113) is N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide is CC(C)(O)CNC(=O)c1sccc1-c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide?
The InChIKey is BNDYPQQQMLZNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-15(2,18)10-16-14(17)13-12(8-9-19-13)11-6-4-3-5-7-11/h3-9,18H,10H2,1-2H3,(H,16,17).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide?
N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide has a molecular weight of 275.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 65110113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).