N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C23H27N3O4S — CID 6497283

IUPACN-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc2)C1
InChIInChI=1S/C23H27N3O4S/c1-17-6-5-13-25(15-17)31(29,30)21-11-9-19(10-12-21)24-23(28)18-14-22(27)26(16-18)20-7-3-2-4-8-20/h2-4,7-12,17-18H,5-6,13-16H2,1H3,(H,24,28)
InChIKeyYOABSTDTTRRAEY-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.10
Rot. Bonds5

About N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 6497283) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID6497283
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc2)C1
InChIInChI=1S/C23H27N3O4S/c1-17-6-5-13-25(15-17)31(29,30)21-11-9-19(10-12-21)24-23(28)18-14-22(27)26(16-18)20-7-3-2-4-8-20/h2-4,7-12,17-18H,5-6,13-16H2,1H3,(H,24,28)
InChIKeyYOABSTDTTRRAEY-UHFFFAOYSA-N
XLogP3.10
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 6497283) is N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is CC1CCCN(S(=O)(=O)c2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc2)C1.
What is the InChIKey of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is YOABSTDTTRRAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-17-6-5-13-25(15-17)31(29,30)21-11-9-19(10-12-21)24-23(28)18-14-22(27)26(16-18)20-7-3-2-4-8-20/h2-4,7-12,17-18H,5-6,13-16H2,1H3,(H,24,28).
What are the key properties of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 6497283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).