N-(4-cyclopentyloxyphenyl)-2-phenylsulfanylpropanamide

C20H23NO2S — CID 132652304

IUPACN-(4-cyclopentyloxyphenyl)-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C20H23NO2S/c1-15(24-19-9-3-2-4-10-19)20(22)21-16-11-13-18(14-12-16)23-17-7-5-6-8-17/h2-4,9-15,17H,5-8H2,1H3,(H,21,22)
InChIKeyPGGKZWVLLSJNNP-UHFFFAOYSA-N
MW341.48 g/mol
LogP5.13
Rot. Bonds6

About N-(4-cyclopentyloxyphenyl)-2-phenylsulfanylpropanamide

N-(4-cyclopentyloxyphenyl)-2-phenylsulfanylpropanamide (PubChem CID 132652304) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-(4-cyclopentyloxyphenyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-cyclopentyloxyphenyl)-2-phenylsulfanylpropanamide
PubChem CID132652304
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC NameN-(4-cyclopentyloxyphenyl)-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C20H23NO2S/c1-15(24-19-9-3-2-4-10-19)20(22)21-16-11-13-18(14-12-16)23-17-7-5-6-8-17/h2-4,9-15,17H,5-8H2,1H3,(H,21,22)
InChIKeyPGGKZWVLLSJNNP-UHFFFAOYSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.48
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
(2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide
CID 875522
2-(4-cyclopentyloxyanilino)-N-phenylpropanamide
CID 42950148
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
N-(4-cyclopentyloxyphenyl)-2-phenoxybutanamide
CID 132651998
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 92676279
(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
CID 2501504
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
2-(2-chlorophenoxy)-N-(4-cyclopentyloxyphenyl)propanamide
CID 132654197
(2S,3S)-2-amino-N-(4-cyclopentyloxyphenyl)-3-methylpentanamide
CID 61178379
N-(4-ethylphenyl)-2-phenylsulfanylpropanamide
CID 2928214

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyloxyphenyl)-2-phenylsulfanylpropanamide?
The IUPAC name of N-(4-cyclopentyloxyphenyl)-2-phenylsulfanylpropanamide (CID 132652304) is N-(4-cyclopentyloxyphenyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-(4-cyclopentyloxyphenyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for N-(4-cyclopentyloxyphenyl)-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of N-(4-cyclopentyloxyphenyl)-2-phenylsulfanylpropanamide?
The InChIKey is PGGKZWVLLSJNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-15(24-19-9-3-2-4-10-19)20(22)21-16-11-13-18(14-12-16)23-17-7-5-6-8-17/h2-4,9-15,17H,5-8H2,1H3,(H,21,22).
What are the key properties of N-(4-cyclopentyloxyphenyl)-2-phenylsulfanylpropanamide?
N-(4-cyclopentyloxyphenyl)-2-phenylsulfanylpropanamide has a molecular weight of 341.48 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyloxyphenyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 132652304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).