N-cyclohexyl-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

C19H28N2O3S — CID 2294829

IUPACN-cyclohexyl-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)C2CCCCC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-16-9-11-18(12-10-16)25(23,24)21(17-7-3-2-4-8-17)15-19(22)20-13-5-6-14-20/h9-12,17H,2-8,13-15H2,1H3
InChIKeyHTEIQURSVNKYTC-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.94
Rot. Bonds5

About N-cyclohexyl-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

N-cyclohexyl-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 2294829) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-cyclohexyl-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID2294829
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-cyclohexyl-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)C2CCCCC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-16-9-11-18(12-10-16)25(23,24)21(17-7-3-2-4-8-17)15-19(22)20-13-5-6-14-20/h9-12,17H,2-8,13-15H2,1H3
InChIKeyHTEIQURSVNKYTC-UHFFFAOYSA-N
XLogP2.94
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 2294829) is N-cyclohexyl-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is HTEIQURSVNKYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-16-9-11-18(12-10-16)25(23,24)21(17-7-3-2-4-8-17)15-19(22)20-13-5-6-14-20/h9-12,17H,2-8,13-15H2,1H3.
What are the key properties of N-cyclohexyl-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
N-cyclohexyl-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 364.51 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 2294829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).