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

C21H23N3O5S — CID 4292126

IUPACN-(3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H23N3O5S/c25-20-5-2-10-24(20)18-8-6-16(7-9-18)21(26)22-17-3-1-4-19(15-17)30(27,28)23-11-13-29-14-12-23/h1,3-4,6-9,15H,2,5,10-14H2,(H,22,26)
InChIKeyHCHQMTSFRNJTLA-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.09
Rot. Bonds5

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

N-(3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 4292126) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID4292126
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H23N3O5S/c25-20-5-2-10-24(20)18-8-6-16(7-9-18)21(26)22-17-3-1-4-19(15-17)30(27,28)23-11-13-29-14-12-23/h1,3-4,6-9,15H,2,5,10-14H2,(H,22,26)
InChIKeyHCHQMTSFRNJTLA-UHFFFAOYSA-N
XLogP2.09
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide (CID 4292126) is N-(3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is HCHQMTSFRNJTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c25-20-5-2-10-24(20)18-8-6-16(7-9-18)21(26)22-17-3-1-4-19(15-17)30(27,28)23-11-13-29-14-12-23/h1,3-4,6-9,15H,2,5,10-14H2,(H,22,26).
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
N-(3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 429.50 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 4292126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).