4-morpholin-4-ylsulfonyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide

C22H25N3O5S — CID 16918301

IUPAC4-morpholin-4-ylsulfonyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CC(=O)N(c2ccccc2)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H25N3O5S/c26-21-14-17(16-25(21)19-4-2-1-3-5-19)15-23-22(27)18-6-8-20(9-7-18)31(28,29)24-10-12-30-13-11-24/h1-9,17H,10-16H2,(H,23,27)
InChIKeyCYDIHDXRCPTNRB-UHFFFAOYSA-N
MW443.53 g/mol
LogP1.49
Rot. Bonds6

About 4-morpholin-4-ylsulfonyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide

4-morpholin-4-ylsulfonyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 16918301) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
PubChem CID16918301
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name4-morpholin-4-ylsulfonyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CC(=O)N(c2ccccc2)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H25N3O5S/c26-21-14-17(16-25(21)19-4-2-1-3-5-19)15-23-22(27)18-6-8-20(9-7-18)31(28,29)24-10-12-30-13-11-24/h1-9,17H,10-16H2,(H,23,27)
InChIKeyCYDIHDXRCPTNRB-UHFFFAOYSA-N
XLogP1.49
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16919059
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 40775122
2-methyl-5-morpholin-4-ylsulfonyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 55652342
N-[[5-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]benzamide
CID 18448030
3-methyl-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 40876165
3-nitro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918248
5-oxo-1-phenyl-N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 17153935
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2,2-diphenylacetamide
CID 16918291
4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521460
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2-propylpentanamide
CID 16918191
3-N-[[1-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-5-oxopyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide
CID 18447962

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide (CID 16918301) is 4-morpholin-4-ylsulfonyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide is O=C(NCC1CC(=O)N(c2ccccc2)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is CYDIHDXRCPTNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c26-21-14-17(16-25(21)19-4-2-1-3-5-19)15-23-22(27)18-6-8-20(9-7-18)31(28,29)24-10-12-30-13-11-24/h1-9,17H,10-16H2,(H,23,27).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide?
4-morpholin-4-ylsulfonyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 443.53 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 16918301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).