N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide

C18H23NO2S — CID 111480141

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C18H23NO2S/c1-13(20)11-18(2,3)12-19-17(21)16-15(9-10-22-16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3,(H,19,21)
InChIKeyAMWLYCFVHLGTFC-UHFFFAOYSA-N
MW317.45 g/mol
LogP3.94
Rot. Bonds6

About N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide

N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide (PubChem CID 111480141) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide
PubChem CID111480141
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C18H23NO2S/c1-13(20)11-18(2,3)12-19-17(21)16-15(9-10-22-16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3,(H,19,21)
InChIKeyAMWLYCFVHLGTFC-UHFFFAOYSA-N
XLogP3.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide
CID 65110113
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)-4-phenylbenzamide
CID 111480227
N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)thiophene-2-carboxamide
CID 110007408
N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide
CID 119497469
N-tert-butyl-3-phenylthiophene-2-carboxamide
CID 60629670
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide
CID 106180732
N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 111479812
N-(2-cyclopentyl-2-hydroxyethyl)-3-phenylthiophene-2-carboxamide
CID 111425839
methyl 2-[(3-phenylthiophene-2-carbonyl)amino]propanoate
CID 60656755
N-but-3-enyl-3-phenylthiophene-2-carboxamide
CID 113465989

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide (CID 111480141) is N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide is CC(O)CC(C)(C)CNC(=O)c1sccc1-c1ccccc1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide?
The InChIKey is AMWLYCFVHLGTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-13(20)11-18(2,3)12-19-17(21)16-15(9-10-22-16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3,(H,19,21).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide?
N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide has a molecular weight of 317.45 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 111480141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).