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

C22H25N3O5S — CID 25434729

IUPACN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H25N3O5S/c1-16-4-7-18(15-20(16)31(28,29)24-11-13-30-14-12-24)23-22(27)17-5-8-19(9-6-17)25-10-2-3-21(25)26/h4-9,15H,2-3,10-14H2,1H3,(H,23,27)
InChIKeyCFUSIMJVSIAKNM-UHFFFAOYSA-N
MW443.53 g/mol
LogP2.40
Rot. Bonds5

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

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 25434729) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID25434729
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H25N3O5S/c1-16-4-7-18(15-20(16)31(28,29)24-11-13-30-14-12-24)23-22(27)17-5-8-19(9-6-17)25-10-2-3-21(25)26/h4-9,15H,2-3,10-14H2,1H3,(H,23,27)
InChIKeyCFUSIMJVSIAKNM-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 3541229
(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 41236594
4-(3,6-dioxodiazinan-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 47074202
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4162856
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 28544504
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 7929134
3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55631501
4-ethyl-3-morpholin-4-ylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 43058895
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4850934
3,4,5-triethoxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4849315
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide (CID 25434729) is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide is Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is CFUSIMJVSIAKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-16-4-7-18(15-20(16)31(28,29)24-11-13-30-14-12-24)23-22(27)17-5-8-19(9-6-17)25-10-2-3-21(25)26/h4-9,15H,2-3,10-14H2,1H3,(H,23,27).
What are the key properties of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 443.53 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 25434729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).