N-[2-methyl-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]methanesulfonamide

C19H28N4O4S — CID 39457332

IUPACN-[2-methyl-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCc1ccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1NS(C)(=O)=O
InChIInChI=1S/C19H28N4O4S/c1-15-5-6-16(13-17(15)20-28(2,26)27)19(25)23-11-9-21(10-12-23)14-18(24)22-7-3-4-8-22/h5-6,13,20H,3-4,7-12,14H2,1-2H3
InChIKeyPZOGRSCQSRIGHH-UHFFFAOYSA-N
MW408.52 g/mol
LogP0.75
Rot. Bonds5

About N-[2-methyl-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]methanesulfonamide

N-[2-methyl-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 39457332) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[2-methyl-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
PubChem CID39457332
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC NameN-[2-methyl-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCc1ccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1NS(C)(=O)=O
InChIInChI=1S/C19H28N4O4S/c1-15-5-6-16(13-17(15)20-28(2,26)27)19(25)23-11-9-21(10-12-23)14-18(24)22-7-3-4-8-22/h5-6,13,20H,3-4,7-12,14H2,1-2H3
InChIKeyPZOGRSCQSRIGHH-UHFFFAOYSA-N
XLogP0.75
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]-2-methylphenyl]methanesulfonamide
CID 55685272
2-[4-(4-fluoro-3-methylbenzoyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 56825777
2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51255754
1-(4-acetylpiperazin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone
CID 60505688
N-[5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylphenyl]methanesulfonamide
CID 136521191
N-[5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]methanesulfonamide
CID 119632504
1-(azepan-1-yl)-2-[4-[4-(methylamino)-3-nitrobenzoyl]piperazin-1-yl]ethanone
CID 35609927
4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide
CID 32693348
N-(2,5-dimethylphenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4530287
N-[2-methyl-5-[4-(4-methylsulfonylphenyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 25153153
1-(azepan-1-yl)-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]ethanone
CID 35610437
1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone
CID 71934936

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-methyl-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]methanesulfonamide (CID 39457332) is N-[2-methyl-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]methanesulfonamide is Cc1ccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is PZOGRSCQSRIGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-15-5-6-16(13-17(15)20-28(2,26)27)19(25)23-11-9-21(10-12-23)14-18(24)22-7-3-4-8-22/h5-6,13,20H,3-4,7-12,14H2,1-2H3.
What are the key properties of N-[2-methyl-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
N-[2-methyl-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 408.52 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 39457332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).