4-ethyl-3-morpholin-4-ylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C23H27N3O5S — CID 43058895

IUPAC4-ethyl-3-morpholin-4-ylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H27N3O5S/c1-2-17-8-9-18(15-21(17)32(29,30)25-11-13-31-14-12-25)23(28)24-19-5-3-6-20(16-19)26-10-4-7-22(26)27/h3,5-6,8-9,15-16H,2,4,7,10-14H2,1H3,(H,24,28)
InChIKeyQQUZAZVEQKJROW-UHFFFAOYSA-N
MW457.55 g/mol
LogP2.65
Rot. Bonds6

About 4-ethyl-3-morpholin-4-ylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide

4-ethyl-3-morpholin-4-ylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 43058895) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is 4-ethyl-3-morpholin-4-ylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-ethyl-3-morpholin-4-ylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID43058895
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC Name4-ethyl-3-morpholin-4-ylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H27N3O5S/c1-2-17-8-9-18(15-21(17)32(29,30)25-11-13-31-14-12-25)23(28)24-19-5-3-6-20(16-19)26-10-4-7-22(26)27/h3,5-6,8-9,15-16H,2,4,7,10-14H2,1H3,(H,24,28)
InChIKeyQQUZAZVEQKJROW-UHFFFAOYSA-N
XLogP2.65
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 25434729
methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 30839746
4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30840501
N-(4-chloro-3-cyanophenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55579596
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43058965
4-ethyl-N-(6-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
CID 46581324
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 30838075
4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 41096601
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119626593
4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 8589902

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-morpholin-4-ylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-ethyl-3-morpholin-4-ylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 43058895) is 4-ethyl-3-morpholin-4-ylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-ethyl-3-morpholin-4-ylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-ethyl-3-morpholin-4-ylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide is CCc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-ethyl-3-morpholin-4-ylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is QQUZAZVEQKJROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-2-17-8-9-18(15-21(17)32(29,30)25-11-13-31-14-12-25)23(28)24-19-5-3-6-20(16-19)26-10-4-7-22(26)27/h3,5-6,8-9,15-16H,2,4,7,10-14H2,1H3,(H,24,28).
What are the key properties of 4-ethyl-3-morpholin-4-ylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
4-ethyl-3-morpholin-4-ylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 457.55 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-morpholin-4-ylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 43058895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).