N-(2-cyclopentyl-2-hydroxyethyl)-3-phenylthiophene-2-carboxamide

C18H21NO2S — CID 111425839

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-3-phenylthiophene-2-carboxamide
SMILESO=C(NCC(O)C1CCCC1)c1sccc1-c1ccccc1
InChIInChI=1S/C18H21NO2S/c20-16(14-8-4-5-9-14)12-19-18(21)17-15(10-11-22-17)13-6-2-1-3-7-13/h1-3,6-7,10-11,14,16,20H,4-5,8-9,12H2,(H,19,21)
InChIKeyRCTMEBCNZJKYAJ-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.70
Rot. Bonds5

About N-(2-cyclopentyl-2-hydroxyethyl)-3-phenylthiophene-2-carboxamide

N-(2-cyclopentyl-2-hydroxyethyl)-3-phenylthiophene-2-carboxamide (PubChem CID 111425839) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-3-phenylthiophene-2-carboxamide
PubChem CID111425839
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-3-phenylthiophene-2-carboxamide
SMILESO=C(NCC(O)C1CCCC1)c1sccc1-c1ccccc1
InChIInChI=1S/C18H21NO2S/c20-16(14-8-4-5-9-14)12-19-18(21)17-15(10-11-22-17)13-6-2-1-3-7-13/h1-3,6-7,10-11,14,16,20H,4-5,8-9,12H2,(H,19,21)
InChIKeyRCTMEBCNZJKYAJ-UHFFFAOYSA-N
XLogP3.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-cyclopentyl-2-hydroxyethyl)thiophene-2-carboxamide
CID 111426282
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-4-phenylbenzamide
CID 95367502
3-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 120813069
N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide
CID 119497469
N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide
CID 65110113
N-(1,1-dioxothian-4-yl)-3-phenylthiophene-2-carboxamide
CID 60511869
N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide
CID 111480141
2-amino-N-(2-cyclohexyl-2-hydroxyethyl)benzamide
CID 119944694
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]thiophene-3-carboxamide
CID 95292148
N-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide
CID 62519290
N-(2-cyclohexyl-2-hydroxyethyl)-2-iodobenzamide
CID 90498837
N-but-3-enyl-3-phenylthiophene-2-carboxamide
CID 113465989

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-3-phenylthiophene-2-carboxamide (CID 111425839) is N-(2-cyclopentyl-2-hydroxyethyl)-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-3-phenylthiophene-2-carboxamide is O=C(NCC(O)C1CCCC1)c1sccc1-c1ccccc1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-3-phenylthiophene-2-carboxamide?
The InChIKey is RCTMEBCNZJKYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c20-16(14-8-4-5-9-14)12-19-18(21)17-15(10-11-22-17)13-6-2-1-3-7-13/h1-3,6-7,10-11,14,16,20H,4-5,8-9,12H2,(H,19,21).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-3-phenylthiophene-2-carboxamide?
N-(2-cyclopentyl-2-hydroxyethyl)-3-phenylthiophene-2-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 111425839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).