N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C26H27N3O4S — CID 55468420

IUPACN-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC(=O)N(CCc4ccccc4)C3)cc2)cc1
InChIInChI=1S/C26H27N3O4S/c1-19-7-13-24(14-8-19)34(32,33)28-23-11-9-22(10-12-23)27-26(31)21-17-25(30)29(18-21)16-15-20-5-3-2-4-6-20/h2-14,21,28H,15-18H2,1H3,(H,27,31)
InChIKeyOVIJNPVIMFDVQN-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.83
Rot. Bonds8

About N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 55468420) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID55468420
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC NameN-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC(=O)N(CCc4ccccc4)C3)cc2)cc1
InChIInChI=1S/C26H27N3O4S/c1-19-7-13-24(14-8-19)34(32,33)28-23-11-9-22(10-12-23)27-26(31)21-17-25(30)29(18-21)16-15-20-5-3-2-4-6-20/h2-14,21,28H,15-18H2,1H3,(H,27,31)
InChIKeyOVIJNPVIMFDVQN-UHFFFAOYSA-N
XLogP3.83
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-5-oxo-1-(2-phenylethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 2471735
N-(4-acetamidophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42997175
(3S)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26084910
(3R)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26084911
(3S)-N-(4-fluorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 9100479
(3R)-5-oxo-1-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7922412
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 22051514
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17081645
(3S)-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 92736433
(3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 26085822
N-(4-methylphenyl)-2-[4-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
CID 40987622
1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 45019498

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 55468420) is N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC(=O)N(CCc4ccccc4)C3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is OVIJNPVIMFDVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-19-7-13-24(14-8-19)34(32,33)28-23-11-9-22(10-12-23)27-26(31)21-17-25(30)29(18-21)16-15-20-5-3-2-4-6-20/h2-14,21,28H,15-18H2,1H3,(H,27,31).
What are the key properties of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55468420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).