N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-morpholin-4-ylsulfonylbenzamide

C22H25N3O5S — CID 40775122

IUPACN-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(N2C[C@@H](NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2=O)cc1
InChIInChI=1S/C22H25N3O5S/c1-16-2-6-19(7-3-16)25-15-18(14-21(25)26)23-22(27)17-4-8-20(9-5-17)31(28,29)24-10-12-30-13-11-24/h2-9,18H,10-15H2,1H3,(H,23,27)/t18-/m0/s1
InChIKeyXRWXFCIMOIEUFP-SFHVURJKSA-N
MW443.53 g/mol
LogP1.55
Rot. Bonds5

About N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-morpholin-4-ylsulfonylbenzamide

N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 40775122) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID40775122
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC NameN-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(N2C[C@@H](NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2=O)cc1
InChIInChI=1S/C22H25N3O5S/c1-16-2-6-19(7-3-16)25-15-18(14-21(25)26)23-22(27)17-4-8-20(9-5-17)31(28,29)24-10-12-30-13-11-24/h2-9,18H,10-15H2,1H3,(H,23,27)/t18-/m0/s1
InChIKeyXRWXFCIMOIEUFP-SFHVURJKSA-N
XLogP1.55
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 26562647
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 16822304
N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 29034004
N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16919059
4-morpholin-4-ylsulfonyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918301
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 40775151
4-morpholin-4-ylsulfonyl-N-(oxolan-3-yl)benzamide
CID 110868803
4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid
CID 43971395
3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 18573314
N-(3-methylphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17321883
4-butoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547181

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-morpholin-4-ylsulfonylbenzamide (CID 40775122) is N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-morpholin-4-ylsulfonylbenzamide is Cc1ccc(N2C[C@@H](NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2=O)cc1.
What is the InChIKey of N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is XRWXFCIMOIEUFP-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-16-2-6-19(7-3-16)25-15-18(14-21(25)26)23-22(27)17-4-8-20(9-5-17)31(28,29)24-10-12-30-13-11-24/h2-9,18H,10-15H2,1H3,(H,23,27)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 443.53 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 40775122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).