N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpropane-1-sulfonamide

C16H24N2O4S — CID 7636421

IUPACN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpropane-1-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)CC(C)C)cc1N1CCCCC1=O
InChIInChI=1S/C16H24N2O4S/c1-12(2)11-23(20,21)17-13-7-8-15(22-3)14(10-13)18-9-5-4-6-16(18)19/h7-8,10,12,17H,4-6,9,11H2,1-3H3
InChIKeyUDLUTUCDLQFDRD-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.61
Rot. Bonds6

About N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpropane-1-sulfonamide

N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpropane-1-sulfonamide (PubChem CID 7636421) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpropane-1-sulfonamide
PubChem CID7636421
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpropane-1-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)CC(C)C)cc1N1CCCCC1=O
InChIInChI=1S/C16H24N2O4S/c1-12(2)11-23(20,21)17-13-7-8-15(22-3)14(10-13)18-9-5-4-6-16(18)19/h7-8,10,12,17H,4-6,9,11H2,1-3H3
InChIKeyUDLUTUCDLQFDRD-UHFFFAOYSA-N
XLogP2.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-yne-1-sulfonamide
CID 7636079
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 7636383
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylbenzenesulfonamide
CID 7636431
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7636428
4-fluoro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylbenzenesulfonamide
CID 7636429
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 119724596
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 7636062
3-fluoro-4-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7636048
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
CID 107650806
1-[5-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-methoxyphenyl]piperidin-2-one
CID 99807501
2-methoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide
CID 7636371
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpropane-1-sulfonamide (CID 7636421) is N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpropane-1-sulfonamide is COc1ccc(NS(=O)(=O)CC(C)C)cc1N1CCCCC1=O.
What is the InChIKey of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpropane-1-sulfonamide?
The InChIKey is UDLUTUCDLQFDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12(2)11-23(20,21)17-13-7-8-15(22-3)14(10-13)18-9-5-4-6-16(18)19/h7-8,10,12,17H,4-6,9,11H2,1-3H3.
What are the key properties of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpropane-1-sulfonamide?
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpropane-1-sulfonamide has a molecular weight of 340.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 7636421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).