1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

C24H28N4O5S — CID 40964120

IUPAC1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)CC2=O)cc1
InChIInChI=1S/C24H28N4O5S/c1-16-2-6-20(7-3-16)28-15-18(14-22(28)29)24(31)27-12-10-17(11-13-27)23(30)26-19-4-8-21(9-5-19)34(25,32)33/h2-9,17-18H,10-15H2,1H3,(H,26,30)(H2,25,32,33)/t18-/m0/s1
InChIKeyBUNDMGASJJNARO-SFHVURJKSA-N
MW484.58 g/mol
LogP1.87
Rot. Bonds5

About 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (PubChem CID 40964120) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
PubChem CID40964120
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC Name1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)CC2=O)cc1
InChIInChI=1S/C24H28N4O5S/c1-16-2-6-20(7-3-16)28-15-18(14-22(28)29)24(31)27-12-10-17(11-13-27)23(30)26-19-4-8-21(9-5-19)34(25,32)33/h2-9,17-18H,10-15H2,1H3,(H,26,30)(H2,25,32,33)/t18-/m0/s1
InChIKeyBUNDMGASJJNARO-SFHVURJKSA-N
XLogP1.87
TPSA129.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 17081878
N-(4-acetamidophenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964122
N-[4-(tert-butylsulfamoyl)phenyl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 17081880
N-[4-(diethylsulfamoyl)phenyl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 17081891
1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-4-carboxamide
CID 17081884
N-(4-bromophenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964099
1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17081842
1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-[4-(2-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17081888
N-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497518
N-[4-(acetylsulfamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118694
N-[4-(tert-butylsulfamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118743
N-(4-chloro-3-nitrophenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 17081745

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (CID 40964120) is 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)CC2=O)cc1.
What is the InChIKey of 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The InChIKey is BUNDMGASJJNARO-SFHVURJKSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-16-2-6-20(7-3-16)28-15-18(14-22(28)29)24(31)27-12-10-17(11-13-27)23(30)26-19-4-8-21(9-5-19)34(25,32)33/h2-9,17-18H,10-15H2,1H3,(H,26,30)(H2,25,32,33)/t18-/m0/s1.
What are the key properties of 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide has a molecular weight of 484.58 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 40964120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).