2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C25H24ClN3O4S — CID 34061557

IUPAC2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C25H24ClN3O4S/c26-20-9-4-12-23(15-20)34(32,33)28(17-19-7-2-1-3-8-19)18-24(30)27-21-10-5-11-22(16-21)29-14-6-13-25(29)31/h1-5,7-12,15-16H,6,13-14,17-18H2,(H,27,30)
InChIKeyWLGHTXIHCCPGGV-UHFFFAOYSA-N
MW498.00 g/mol
LogP4.30
Rot. Bonds8

About 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 34061557) has the molecular formula C25H24ClN3O4S and a molecular weight of 498.00 g/mol. Its IUPAC name is 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID34061557
Molecular FormulaC25H24ClN3O4S
Molecular Weight498.00 g/mol
Exact Mass497.12
IUPAC Name2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C25H24ClN3O4S/c26-20-9-4-12-23(15-20)34(32,33)28(17-19-7-2-1-3-8-19)18-24(30)27-21-10-5-11-22(16-21)29-14-6-13-25(29)31/h1-5,7-12,15-16H,6,13-14,17-18H2,(H,27,30)
InChIKeyWLGHTXIHCCPGGV-UHFFFAOYSA-N
XLogP4.30
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.00
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41334479
2-(N-(3-methylphenyl)sulfonylanilino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 34062206
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 31716980
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 16564284
3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid
CID 120549405
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 43892755
2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41380914
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 92673763
2-[2-methylpropyl(propan-2-yl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36963101
2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42238824
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30305116
2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 7917888

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 34061557) is 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is WLGHTXIHCCPGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4S/c26-20-9-4-12-23(15-20)34(32,33)28(17-19-7-2-1-3-8-19)18-24(30)27-21-10-5-11-22(16-21)29-14-6-13-25(29)31/h1-5,7-12,15-16H,6,13-14,17-18H2,(H,27,30).
What are the key properties of 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 498.00 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 34061557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).