2-(N-(3-methylphenyl)sulfonylanilino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C25H25N3O4S — CID 34062206

IUPAC2-(N-(3-methylphenyl)sulfonylanilino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCc1cccc(S(=O)(=O)N(CC(=O)Nc2cccc(N3CCCC3=O)c2)c2ccccc2)c1
InChIInChI=1S/C25H25N3O4S/c1-19-8-5-13-23(16-19)33(31,32)28(21-10-3-2-4-11-21)18-24(29)26-20-9-6-12-22(17-20)27-15-7-14-25(27)30/h2-6,8-13,16-17H,7,14-15,18H2,1H3,(H,26,29)
InChIKeyVBHHTFVWAQLKMB-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.96
Rot. Bonds7

About 2-(N-(3-methylphenyl)sulfonylanilino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-(N-(3-methylphenyl)sulfonylanilino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 34062206) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-(N-(3-methylphenyl)sulfonylanilino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-(3-methylphenyl)sulfonylanilino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID34062206
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name2-(N-(3-methylphenyl)sulfonylanilino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCc1cccc(S(=O)(=O)N(CC(=O)Nc2cccc(N3CCCC3=O)c2)c2ccccc2)c1
InChIInChI=1S/C25H25N3O4S/c1-19-8-5-13-23(16-19)33(31,32)28(21-10-3-2-4-11-21)18-24(29)26-20-9-6-12-22(17-20)27-15-7-14-25(27)30/h2-6,8-13,16-17H,7,14-15,18H2,1H3,(H,26,29)
InChIKeyVBHHTFVWAQLKMB-UHFFFAOYSA-N
XLogP3.96
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 31716980
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30210714
N-(3-acetylphenyl)-2-(N-(3-methylphenyl)sulfonylanilino)acetamide
CID 18097238
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 92673763
methyl 4-[methylsulfonyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]benzoate
CID 56539474
2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 34061557
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30205833
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635918
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 43892764
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30306516
2-[2-methylpropyl(propan-2-yl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36963101
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30305116

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3-methylphenyl)sulfonylanilino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(N-(3-methylphenyl)sulfonylanilino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 34062206) is 2-(N-(3-methylphenyl)sulfonylanilino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(N-(3-methylphenyl)sulfonylanilino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(N-(3-methylphenyl)sulfonylanilino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is Cc1cccc(S(=O)(=O)N(CC(=O)Nc2cccc(N3CCCC3=O)c2)c2ccccc2)c1.
What is the InChIKey of 2-(N-(3-methylphenyl)sulfonylanilino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is VBHHTFVWAQLKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-19-8-5-13-23(16-19)33(31,32)28(21-10-3-2-4-11-21)18-24(29)26-20-9-6-12-22(17-20)27-15-7-14-25(27)30/h2-6,8-13,16-17H,7,14-15,18H2,1H3,(H,26,29).
What are the key properties of 2-(N-(3-methylphenyl)sulfonylanilino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(N-(3-methylphenyl)sulfonylanilino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 463.56 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3-methylphenyl)sulfonylanilino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 34062206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).