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

C23H27N3O4S — CID 6497269

IUPACN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc2)CC1
InChIInChI=1S/C23H27N3O4S/c1-17-11-13-25(14-12-17)31(29,30)21-9-7-19(8-10-21)24-23(28)18-15-22(27)26(16-18)20-5-3-2-4-6-20/h2-10,17-18H,11-16H2,1H3,(H,24,28)
InChIKeyKOWXXCQOYHOMOX-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.10
Rot. Bonds5

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

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 6497269) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID6497269
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc2)CC1
InChIInChI=1S/C23H27N3O4S/c1-17-11-13-25(14-12-17)31(29,30)21-9-7-19(8-10-21)24-23(28)18-15-22(27)26(16-18)20-5-3-2-4-6-20/h2-10,17-18H,11-16H2,1H3,(H,24,28)
InChIKeyKOWXXCQOYHOMOX-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-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 6497269) is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is KOWXXCQOYHOMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-17-11-13-25(14-12-17)31(29,30)21-9-7-19(8-10-21)24-23(28)18-15-22(27)26(16-18)20-5-3-2-4-6-20/h2-10,17-18H,11-16H2,1H3,(H,24,28).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[4-(4-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-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 6497269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).