N-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide

C19H27N3O4S — CID 43995378

IUPACN-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H27N3O4S/c1-16-7-9-17(10-8-16)27(25,26)22(19(24)21-13-5-6-14-21)15-18(23)20-11-3-2-4-12-20/h7-10H,2-6,11-15H2,1H3
InChIKeyXUCUOFNHIZFIBO-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.21
Rot. Bonds4

About N-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide

N-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide (PubChem CID 43995378) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide
PubChem CID43995378
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H27N3O4S/c1-16-7-9-17(10-8-16)27(25,26)22(19(24)21-13-5-6-14-21)15-18(23)20-11-3-2-4-12-20/h7-10H,2-6,11-15H2,1H3
InChIKeyXUCUOFNHIZFIBO-UHFFFAOYSA-N
XLogP2.21
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 43995385
N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 43995446
N-methyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 135006273
N-(4-methylphenyl)-4-methylsulfanyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1106328
N-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 1208474
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[(2,6-dichlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 1329397
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 999977
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 43995476
2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone
CID 56731899
N,N-diethyl-4-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxamide
CID 34217753
N-[(4-bromophenyl)methyl]-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 1290646
N-(3-chloro-4-methoxyphenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 999403

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide (CID 43995378) is N-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide is Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)C(=O)N2CCCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide?
The InChIKey is XUCUOFNHIZFIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-16-7-9-17(10-8-16)27(25,26)22(19(24)21-13-5-6-14-21)15-18(23)20-11-3-2-4-12-20/h7-10H,2-6,11-15H2,1H3.
What are the key properties of N-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide?
N-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 43995378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).