N,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide

C20H24N2O4S — CID 17247239

IUPACN,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-16-5-11-19(12-6-16)27(24,25)21(2)17-7-9-18(10-8-17)26-15-20(23)22-13-3-4-14-22/h5-12H,3-4,13-15H2,1-2H3
InChIKeyOZJQYECAWJKLKK-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.82
Rot. Bonds6

About N,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide

N,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide (PubChem CID 17247239) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
PubChem CID17247239
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-16-5-11-19(12-6-16)27(24,25)21(2)17-7-9-18(10-8-17)26-15-20(23)22-13-3-4-14-22/h5-12H,3-4,13-15H2,1-2H3
InChIKeyOZJQYECAWJKLKK-UHFFFAOYSA-N
XLogP2.82
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzenesulfonamide
CID 1190688
N,4-dimethyl-N-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]phenyl]benzenesulfonamide
CID 92649244
N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247189
N-methyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide
CID 17247064
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide
CID 126126887
N-ethyl-4-methyl-N-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide
CID 92649285
4-[2-(azepan-1-yl)-2-oxoethoxy]-N-benzyl-N-methylbenzenesulfonamide
CID 2214283
2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]acetic acid
CID 4839549
N,4-dimethyl-N-[4-[2-[2-(2-methylpropanoyl)hydrazinyl]-2-oxoethoxy]phenyl]benzenesulfonamide
CID 24542946
N-(1-cyclopropylethyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 24658411
1-[4-[2-(4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796458
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-morpholin-4-ylethyl)acetamide
CID 17247264

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide (CID 17247239) is N,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of N,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide?
The InChIKey is OZJQYECAWJKLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-16-5-11-19(12-6-16)27(24,25)21(2)17-7-9-18(10-8-17)26-15-20(23)22-13-3-4-14-22/h5-12H,3-4,13-15H2,1-2H3.
What are the key properties of N,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide?
N,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 17247239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).