N-[4-[[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide

C20H23N3O4S — CID 16822411

IUPACN-[4-[[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1
InChIInChI=1S/C20H23N3O4S/c1-13-4-7-18(10-14(13)2)23-12-17(11-20(23)25)22-28(26,27)19-8-5-16(6-9-19)21-15(3)24/h4-10,17,22H,11-12H2,1-3H3,(H,21,24)
InChIKeyAXGSIYNHQCKPNB-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.35
Rot. Bonds5

About N-[4-[[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide

N-[4-[[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide (PubChem CID 16822411) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[4-[[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide
PubChem CID16822411
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[4-[[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1
InChIInChI=1S/C20H23N3O4S/c1-13-4-7-18(10-14(13)2)23-12-17(11-20(23)25)22-28(26,27)19-8-5-16(6-9-19)21-15(3)24/h4-10,17,22H,11-12H2,1-3H3,(H,21,24)
InChIKeyAXGSIYNHQCKPNB-UHFFFAOYSA-N
XLogP2.35
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide (CID 16822411) is N-[4-[[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1.
What is the InChIKey of N-[4-[[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is AXGSIYNHQCKPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-13-4-7-18(10-14(13)2)23-12-17(11-20(23)25)22-28(26,27)19-8-5-16(6-9-19)21-15(3)24/h4-10,17,22H,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-[4-[[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 401.49 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 16822411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).