N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide

C19H22N2O3S — CID 43995446

IUPACN-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N2O3S/c1-16-9-11-18(12-10-16)25(23,24)21(15-17-7-3-2-4-8-17)19(22)20-13-5-6-14-20/h2-4,7-12H,5-6,13-15H2,1H3
InChIKeyJHEYURSUDXBYOJ-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.40
Rot. Bonds4

About N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide

N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide (PubChem CID 43995446) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
PubChem CID43995446
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N2O3S/c1-16-9-11-18(12-10-16)25(23,24)21(15-17-7-3-2-4-8-17)19(22)20-13-5-6-14-20/h2-4,7-12H,5-6,13-15H2,1H3
InChIKeyJHEYURSUDXBYOJ-UHFFFAOYSA-N
XLogP3.40
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 43995378
N-[(4-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 7388130
N-[(4-fluorophenyl)methyl]-4-(furan-2-carbonyl)-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 43995364
N-[(2-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazin-4-ium-1-carboxamide
CID 7388131
4-acetyl-N-(4-methylphenyl)sulfonyl-N-[(3-nitrophenyl)methyl]piperazine-1-carboxamide
CID 43995324
N-methyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 135006273
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 43995385
N-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 1208474
4-ethyl-N-(4-methylphenyl)sulfonyl-N-(3-phenylprop-2-enyl)piperazine-1-carboxamide
CID 71962513
N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950
methyl (E)-3-[benzyl-(4-methylphenyl)sulfonylamino]but-2-enoate
CID 177422417
N-benzyl-4-methyl-N-[1-(6-oxocyclohexen-1-yl)ethenyl]benzenesulfonamide
CID 10861853

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide?
The IUPAC name of N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide (CID 43995446) is N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide?
The canonical SMILES for N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C(=O)N2CCCC2)cc1.
What is the InChIKey of N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide?
The InChIKey is JHEYURSUDXBYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-16-9-11-18(12-10-16)25(23,24)21(15-17-7-3-2-4-8-17)19(22)20-13-5-6-14-20/h2-4,7-12H,5-6,13-15H2,1H3.
What are the key properties of N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide?
N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide is sourced from PubChem (CID 43995446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).