N-(4-cyclopentylsulfanylphenyl)-3-methylpyrrolidine-2-carboxamide

C17H24N2OS — CID 102778093

IUPACN-(4-cyclopentylsulfanylphenyl)-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C17H24N2OS/c1-12-10-11-18-16(12)17(20)19-13-6-8-15(9-7-13)21-14-4-2-3-5-14/h6-9,12,14,16,18H,2-5,10-11H2,1H3,(H,19,20)
InChIKeyJORYFCBMYDUJLC-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.66
Rot. Bonds4

About N-(4-cyclopentylsulfanylphenyl)-3-methylpyrrolidine-2-carboxamide

N-(4-cyclopentylsulfanylphenyl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 102778093) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(4-cyclopentylsulfanylphenyl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfanylphenyl)-3-methylpyrrolidine-2-carboxamide
PubChem CID102778093
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-(4-cyclopentylsulfanylphenyl)-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C17H24N2OS/c1-12-10-11-18-16(12)17(20)19-13-6-8-15(9-7-13)21-14-4-2-3-5-14/h6-9,12,14,16,18H,2-5,10-11H2,1H3,(H,19,20)
InChIKeyJORYFCBMYDUJLC-UHFFFAOYSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyclopentylsulfanylphenyl)cyclopentanecarboxamide
CID 37400543
N-(4-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 43426858
3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 102778022
2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 102779763
3-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 102778116
3-methyl-N-[4-(propanoylamino)phenyl]piperidine-2-carboxamide
CID 107067422
N-(4-ethylphenyl)-3-methylpiperidine-2-carboxamide
CID 55060316
N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777091
1-acetyl-N-(4-cyclopentylsulfanylphenyl)piperidine-4-carboxamide
CID 37400587
3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 102778074
3-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]butanoic acid
CID 102780012
N-(4-cyclopentylsulfanylphenyl)cyclohex-3-ene-1-carboxamide
CID 42955855

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfanylphenyl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-cyclopentylsulfanylphenyl)-3-methylpyrrolidine-2-carboxamide (CID 102778093) is N-(4-cyclopentylsulfanylphenyl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-cyclopentylsulfanylphenyl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-cyclopentylsulfanylphenyl)-3-methylpyrrolidine-2-carboxamide is CC1CCNC1C(=O)Nc1ccc(SC2CCCC2)cc1.
What is the InChIKey of N-(4-cyclopentylsulfanylphenyl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is JORYFCBMYDUJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-12-10-11-18-16(12)17(20)19-13-6-8-15(9-7-13)21-14-4-2-3-5-14/h6-9,12,14,16,18H,2-5,10-11H2,1H3,(H,19,20).
What are the key properties of N-(4-cyclopentylsulfanylphenyl)-3-methylpyrrolidine-2-carboxamide?
N-(4-cyclopentylsulfanylphenyl)-3-methylpyrrolidine-2-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfanylphenyl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102778093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).