2-cyclohexyl-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]ethanesulfonamide

C19H26N2O4S — CID 167814172

IUPAC2-cyclohexyl-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]ethanesulfonamide
SMILESO=C1CC(Cc2ccc(NS(=O)(=O)CCC3CCCCC3)cc2)C(=O)N1
InChIInChI=1S/C19H26N2O4S/c22-18-13-16(19(23)20-18)12-15-6-8-17(9-7-15)21-26(24,25)11-10-14-4-2-1-3-5-14/h6-9,14,16,21H,1-5,10-13H2,(H,20,22,23)
InChIKeyJSYWVUBMOSFHTK-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.60
Rot. Bonds7

About 2-cyclohexyl-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]ethanesulfonamide

2-cyclohexyl-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]ethanesulfonamide (PubChem CID 167814172) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is 2-cyclohexyl-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]ethanesulfonamide
PubChem CID167814172
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name2-cyclohexyl-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]ethanesulfonamide
SMILESO=C1CC(Cc2ccc(NS(=O)(=O)CCC3CCCCC3)cc2)C(=O)N1
InChIInChI=1S/C19H26N2O4S/c22-18-13-16(19(23)20-18)12-15-6-8-17(9-7-15)21-26(24,25)11-10-14-4-2-1-3-5-14/h6-9,14,16,21H,1-5,10-13H2,(H,20,22,23)
InChIKeyJSYWVUBMOSFHTK-UHFFFAOYSA-N
XLogP2.60
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-cyclohexyl-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclobutyl-N-[4-(hydroxymethyl)phenyl]ethanesulfonamide
CID 112746969
N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892291
N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95774368
N-[2-(cycloheptylamino)ethyl]-4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 119620286
N-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892098
N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-7-methoxy-3,4-dihydronaphthalene-2-sulfonamide
CID 166211681
(1S)-2,2-dichloro-N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]cyclopropane-1-carboxamide
CID 95774363
(2S)-2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-methylpentanamide
CID 119798822
5-(2-cyclopentylethylsulfonylamino)pyridine-2-sulfonamide
CID 126833411
3-[[4-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione
CID 75385528
(2S)-2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-3-methylbutanamide
CID 119332298
3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrrolidine-2,5-dione
CID 110457723

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]ethanesulfonamide?
The IUPAC name of 2-cyclohexyl-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]ethanesulfonamide (CID 167814172) is 2-cyclohexyl-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]ethanesulfonamide.
What is the SMILES notation for 2-cyclohexyl-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]ethanesulfonamide?
The canonical SMILES for 2-cyclohexyl-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]ethanesulfonamide is O=C1CC(Cc2ccc(NS(=O)(=O)CCC3CCCCC3)cc2)C(=O)N1.
What is the InChIKey of 2-cyclohexyl-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]ethanesulfonamide?
The InChIKey is JSYWVUBMOSFHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c22-18-13-16(19(23)20-18)12-15-6-8-17(9-7-15)21-26(24,25)11-10-14-4-2-1-3-5-14/h6-9,14,16,21H,1-5,10-13H2,(H,20,22,23).
What are the key properties of 2-cyclohexyl-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]ethanesulfonamide?
2-cyclohexyl-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]ethanesulfonamide has a molecular weight of 378.49 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 167814172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).