1-ethylsulfonyl-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide

C19H27N3O4S — CID 53277986

IUPAC1-ethylsulfonyl-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)CC1
InChIInChI=1S/C19H27N3O4S/c1-3-27(25,26)21-11-8-15(9-12-21)19(24)20-16-7-6-14(2)17(13-16)22-10-4-5-18(22)23/h6-7,13,15H,3-5,8-12H2,1-2H3,(H,20,24)
InChIKeyNSFKTXJUZYTCKT-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.12
Rot. Bonds5

About 1-ethylsulfonyl-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide

1-ethylsulfonyl-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide (PubChem CID 53277986) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide
PubChem CID53277986
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name1-ethylsulfonyl-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)CC1
InChIInChI=1S/C19H27N3O4S/c1-3-27(25,26)21-11-8-15(9-12-21)19(24)20-16-7-6-14(2)17(13-16)22-10-4-5-18(22)23/h6-7,13,15H,3-5,8-12H2,1-2H3,(H,20,24)
InChIKeyNSFKTXJUZYTCKT-UHFFFAOYSA-N
XLogP2.12
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7687364
1-ethylsulfonyl-N-(4-methyl-3-nitrophenyl)piperidine-4-carboxamide
CID 18200116
2,2-dimethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 7687770
N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680052
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115891
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide
CID 38145370
[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 169357597
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propane-1-sulfonamide
CID 7636321
2-chloro-4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzoic acid
CID 119164224
N'-(3-fluoro-4-methylphenyl)-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680066
(3R)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 51982092

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide (CID 53277986) is 1-ethylsulfonyl-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is NSFKTXJUZYTCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-3-27(25,26)21-11-8-15(9-12-21)19(24)20-16-7-6-14(2)17(13-16)22-10-4-5-18(22)23/h6-7,13,15H,3-5,8-12H2,1-2H3,(H,20,24).
What are the key properties of 1-ethylsulfonyl-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide?
1-ethylsulfonyl-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 53277986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).