N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide

C24H29N3O6S — CID 24816860

IUPACN-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H29N3O6S/c1-17(2)33-22-10-9-20(34(30,31)26-12-14-32-15-13-26)16-21(22)25-24(29)18-5-7-19(8-6-18)27-11-3-4-23(27)28/h5-10,16-17H,3-4,11-15H2,1-2H3,(H,25,29)
InChIKeyYXWKIWOKIYMBMA-UHFFFAOYSA-N
MW487.58 g/mol
LogP2.87
Rot. Bonds7

About N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide

N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 24816860) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID24816860
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC NameN-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H29N3O6S/c1-17(2)33-22-10-9-20(34(30,31)26-12-14-32-15-13-26)16-21(22)25-24(29)18-5-7-19(8-6-18)27-11-3-4-23(27)28/h5-10,16-17H,3-4,11-15H2,1-2H3,(H,25,29)
InChIKeyYXWKIWOKIYMBMA-UHFFFAOYSA-N
XLogP2.87
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide (CID 24816860) is N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide is CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is YXWKIWOKIYMBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S/c1-17(2)33-22-10-9-20(34(30,31)26-12-14-32-15-13-26)16-21(22)25-24(29)18-5-7-19(8-6-18)27-11-3-4-23(27)28/h5-10,16-17H,3-4,11-15H2,1-2H3,(H,25,29).
What are the key properties of N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 487.58 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 24816860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).