1-cyclopentyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-oxopyrrolidine-3-carboxamide

C20H28N2O2S — CID 55381016

IUPAC1-cyclopentyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CSCCNC(=O)C2CC(=O)N(C3CCCC3)C2)cc1
InChIInChI=1S/C20H28N2O2S/c1-15-6-8-16(9-7-15)14-25-11-10-21-20(24)17-12-19(23)22(13-17)18-4-2-3-5-18/h6-9,17-18H,2-5,10-14H2,1H3,(H,21,24)
InChIKeyYDHPPSFDXLANTF-UHFFFAOYSA-N
MW360.52 g/mol
LogP3.14
Rot. Bonds7

About 1-cyclopentyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-oxopyrrolidine-3-carboxamide

1-cyclopentyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55381016) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55381016
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC Name1-cyclopentyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CSCCNC(=O)C2CC(=O)N(C3CCCC3)C2)cc1
InChIInChI=1S/C20H28N2O2S/c1-15-6-8-16(9-7-15)14-25-11-10-21-20(24)17-12-19(23)22(13-17)18-4-2-3-5-18/h6-9,17-18H,2-5,10-14H2,1H3,(H,21,24)
InChIKeyYDHPPSFDXLANTF-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 72931407
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]cyclopropanecarboxamide
CID 78804949
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002
1-cyclohexyl-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 110627054
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
(3R)-N-[3-(4-chlorophenyl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97113539
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
(3R)-1-cyclopentyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 97124433
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
N-[2-(cycloheptylamino)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119619473
1-cyclopentyl-N-[2-(5-methylthiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70742007
2-[2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242612

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-oxopyrrolidine-3-carboxamide (CID 55381016) is 1-cyclopentyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CSCCNC(=O)C2CC(=O)N(C3CCCC3)C2)cc1.
What is the InChIKey of 1-cyclopentyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YDHPPSFDXLANTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-15-6-8-16(9-7-15)14-25-11-10-21-20(24)17-12-19(23)22(13-17)18-4-2-3-5-18/h6-9,17-18H,2-5,10-14H2,1H3,(H,21,24).
What are the key properties of 1-cyclopentyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopentyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 360.52 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55381016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).