N-(2-ethyl-2-hydroxybutyl)-3-phenylthiophene-2-carboxamide

C17H21NO2S — CID 65112605

IUPACN-(2-ethyl-2-hydroxybutyl)-3-phenylthiophene-2-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C17H21NO2S/c1-3-17(20,4-2)12-18-16(19)15-14(10-11-21-15)13-8-6-5-7-9-13/h5-11,20H,3-4,12H2,1-2H3,(H,18,19)
InChIKeyZOIYDHRJUKFPDH-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.70
Rot. Bonds6

About N-(2-ethyl-2-hydroxybutyl)-3-phenylthiophene-2-carboxamide

N-(2-ethyl-2-hydroxybutyl)-3-phenylthiophene-2-carboxamide (PubChem CID 65112605) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-3-phenylthiophene-2-carboxamide
PubChem CID65112605
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-3-phenylthiophene-2-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C17H21NO2S/c1-3-17(20,4-2)12-18-16(19)15-14(10-11-21-15)13-8-6-5-7-9-13/h5-11,20H,3-4,12H2,1-2H3,(H,18,19)
InChIKeyZOIYDHRJUKFPDH-UHFFFAOYSA-N
XLogP3.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide
CID 119641993
N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide
CID 65110113
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-[[4-(diethylaminomethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide
CID 26958695
N-but-3-enyl-3-phenylthiophene-2-carboxamide
CID 113465989
3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide
CID 111463271
N-[2-(benzenesulfonyl)ethyl]-3-phenylthiophene-2-carboxamide
CID 60515488
N-(2-ethyl-2-hydroxybutyl)-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 111825632
N-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide
CID 62519290

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-phenylthiophene-2-carboxamide (CID 65112605) is N-(2-ethyl-2-hydroxybutyl)-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-3-phenylthiophene-2-carboxamide is CCC(O)(CC)CNC(=O)c1sccc1-c1ccccc1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-3-phenylthiophene-2-carboxamide?
The InChIKey is ZOIYDHRJUKFPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-3-17(20,4-2)12-18-16(19)15-14(10-11-21-15)13-8-6-5-7-9-13/h5-11,20H,3-4,12H2,1-2H3,(H,18,19).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-3-phenylthiophene-2-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-3-phenylthiophene-2-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 65112605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).