1-[(3-methylphenyl)methyl]-N-(2-piperidin-1-ylsulfonylethyl)pyrrolidine-2-carboxamide

C20H31N3O3S — CID 110427724

IUPAC1-[(3-methylphenyl)methyl]-N-(2-piperidin-1-ylsulfonylethyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(CN2CCCC2C(=O)NCCS(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H31N3O3S/c1-17-7-5-8-18(15-17)16-22-11-6-9-19(22)20(24)21-10-14-27(25,26)23-12-3-2-4-13-23/h5,7-8,15,19H,2-4,6,9-14,16H2,1H3,(H,21,24)
InChIKeyATZXQUHRVXCZHR-UHFFFAOYSA-N
MW393.55 g/mol
LogP1.89
Rot. Bonds7

About 1-[(3-methylphenyl)methyl]-N-(2-piperidin-1-ylsulfonylethyl)pyrrolidine-2-carboxamide

1-[(3-methylphenyl)methyl]-N-(2-piperidin-1-ylsulfonylethyl)pyrrolidine-2-carboxamide (PubChem CID 110427724) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-N-(2-piperidin-1-ylsulfonylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-N-(2-piperidin-1-ylsulfonylethyl)pyrrolidine-2-carboxamide
PubChem CID110427724
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name1-[(3-methylphenyl)methyl]-N-(2-piperidin-1-ylsulfonylethyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(CN2CCCC2C(=O)NCCS(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H31N3O3S/c1-17-7-5-8-18(15-17)16-22-11-6-9-19(22)20(24)21-10-14-27(25,26)23-12-3-2-4-13-23/h5,7-8,15,19H,2-4,6,9-14,16H2,1H3,(H,21,24)
InChIKeyATZXQUHRVXCZHR-UHFFFAOYSA-N
XLogP1.89
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-methylphenyl)methyl]-N-(2-piperidin-1-ylsulfonylethyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide
CID 97308396
(2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide
CID 97308397
N-[3-(4-fluorophenoxy)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110627319
N-[3-(1,1-dioxothiolan-3-yl)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110419524
N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110630522
1-benzyl-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-2-carboxamide
CID 131905339
N-(5-acetyl-2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110425580
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110621179
ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 2837990
ethyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 791469
tert-butyl (2R)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxylate
CID 80709993
1-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide
CID 60579538

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-N-(2-piperidin-1-ylsulfonylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(3-methylphenyl)methyl]-N-(2-piperidin-1-ylsulfonylethyl)pyrrolidine-2-carboxamide (CID 110427724) is 1-[(3-methylphenyl)methyl]-N-(2-piperidin-1-ylsulfonylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-N-(2-piperidin-1-ylsulfonylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-N-(2-piperidin-1-ylsulfonylethyl)pyrrolidine-2-carboxamide is Cc1cccc(CN2CCCC2C(=O)NCCS(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-N-(2-piperidin-1-ylsulfonylethyl)pyrrolidine-2-carboxamide?
The InChIKey is ATZXQUHRVXCZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-17-7-5-8-18(15-17)16-22-11-6-9-19(22)20(24)21-10-14-27(25,26)23-12-3-2-4-13-23/h5,7-8,15,19H,2-4,6,9-14,16H2,1H3,(H,21,24).
What are the key properties of 1-[(3-methylphenyl)methyl]-N-(2-piperidin-1-ylsulfonylethyl)pyrrolidine-2-carboxamide?
1-[(3-methylphenyl)methyl]-N-(2-piperidin-1-ylsulfonylethyl)pyrrolidine-2-carboxamide has a molecular weight of 393.55 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-N-(2-piperidin-1-ylsulfonylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110427724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).