4-(2-oxopyrrolidin-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide

C22H25N3O4S — CID 4266948

IUPAC4-(2-oxopyrrolidin-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H25N3O4S/c26-21-8-5-15-25(21)19-11-9-17(10-12-19)22(27)23-18-6-4-7-20(16-18)30(28,29)24-13-2-1-3-14-24/h4,6-7,9-12,16H,1-3,5,8,13-15H2,(H,23,27)
InChIKeyBUPMGUJBXPXDMH-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.24
Rot. Bonds5

About 4-(2-oxopyrrolidin-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide

4-(2-oxopyrrolidin-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 4266948) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID4266948
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H25N3O4S/c26-21-8-5-15-25(21)19-11-9-17(10-12-19)22(27)23-18-6-4-7-20(16-18)30(28,29)24-13-2-1-3-14-24/h4,6-7,9-12,16H,1-3,5,8,13-15H2,(H,23,27)
InChIKeyBUPMGUJBXPXDMH-UHFFFAOYSA-N
XLogP3.24
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide (CID 4266948) is 4-(2-oxopyrrolidin-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is BUPMGUJBXPXDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c26-21-8-5-15-25(21)19-11-9-17(10-12-19)22(27)23-18-6-4-7-20(16-18)30(28,29)24-13-2-1-3-14-24/h4,6-7,9-12,16H,1-3,5,8,13-15H2,(H,23,27).
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide?
4-(2-oxopyrrolidin-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 427.53 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 4266948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).