1-phenyl-N-(2-phenylsulfanylethyl)cyclopentane-1-carboxamide

C20H23NOS — CID 39630901

IUPAC1-phenyl-N-(2-phenylsulfanylethyl)cyclopentane-1-carboxamide
SMILESO=C(NCCSc1ccccc1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C20H23NOS/c22-19(21-15-16-23-18-11-5-2-6-12-18)20(13-7-8-14-20)17-9-3-1-4-10-17/h1-6,9-12H,7-8,13-16H2,(H,21,22)
InChIKeyAHKDKZOJQYSXBP-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.41
Rot. Bonds6

About 1-phenyl-N-(2-phenylsulfanylethyl)cyclopentane-1-carboxamide

1-phenyl-N-(2-phenylsulfanylethyl)cyclopentane-1-carboxamide (PubChem CID 39630901) has the molecular formula C20H23NOS and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-phenyl-N-(2-phenylsulfanylethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(2-phenylsulfanylethyl)cyclopentane-1-carboxamide
PubChem CID39630901
Molecular FormulaC20H23NOS
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC Name1-phenyl-N-(2-phenylsulfanylethyl)cyclopentane-1-carboxamide
SMILESO=C(NCCSc1ccccc1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C20H23NOS/c22-19(21-15-16-23-18-11-5-2-6-12-18)20(13-7-8-14-20)17-9-3-1-4-10-17/h1-6,9-12H,7-8,13-16H2,(H,21,22)
InChIKeyAHKDKZOJQYSXBP-UHFFFAOYSA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 100543641
N-(3-amino-3-oxopropyl)-1-phenylcyclopentane-1-carboxamide
CID 110473789
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119383117
N-(6-aminohexyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 142770343
N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24666491
N-[2-(2-methoxyphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 100551991
N-[2-(2-methylphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 99848155
N-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide
CID 115636963
1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide
CID 3502892
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 43021008
[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 1-phenylcyclobutane-1-carboxylate
CID 24519998

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-phenylsulfanylethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-phenyl-N-(2-phenylsulfanylethyl)cyclopentane-1-carboxamide (CID 39630901) is 1-phenyl-N-(2-phenylsulfanylethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-(2-phenylsulfanylethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-(2-phenylsulfanylethyl)cyclopentane-1-carboxamide is O=C(NCCSc1ccccc1)C1(c2ccccc2)CCCC1.
What is the InChIKey of 1-phenyl-N-(2-phenylsulfanylethyl)cyclopentane-1-carboxamide?
The InChIKey is AHKDKZOJQYSXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NOS/c22-19(21-15-16-23-18-11-5-2-6-12-18)20(13-7-8-14-20)17-9-3-1-4-10-17/h1-6,9-12H,7-8,13-16H2,(H,21,22).
What are the key properties of 1-phenyl-N-(2-phenylsulfanylethyl)cyclopentane-1-carboxamide?
1-phenyl-N-(2-phenylsulfanylethyl)cyclopentane-1-carboxamide has a molecular weight of 325.48 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-phenylsulfanylethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 39630901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).