N-(3-chlorophenyl)-1-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide

C21H22ClN3O5S — CID 17321884

IUPACN-(3-chlorophenyl)-1-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CC(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C21H22ClN3O5S/c22-16-2-1-3-17(13-16)23-21(27)15-12-20(26)25(14-15)18-4-6-19(7-5-18)31(28,29)24-8-10-30-11-9-24/h1-7,13,15H,8-12,14H2,(H,23,27)
InChIKeyMWGPURDZXHYOMB-UHFFFAOYSA-N
MW463.94 g/mol
LogP2.35
Rot. Bonds5

About N-(3-chlorophenyl)-1-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(3-chlorophenyl)-1-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17321884) has the molecular formula C21H22ClN3O5S and a molecular weight of 463.94 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17321884
Molecular FormulaC21H22ClN3O5S
Molecular Weight463.94 g/mol
Exact Mass463.10
IUPAC NameN-(3-chlorophenyl)-1-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CC(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C21H22ClN3O5S/c22-16-2-1-3-17(13-16)23-21(27)15-12-20(26)25(14-15)18-4-6-19(7-5-18)31(28,29)24-8-10-30-11-9-24/h1-7,13,15H,8-12,14H2,(H,23,27)
InChIKeyMWGPURDZXHYOMB-UHFFFAOYSA-N
XLogP2.35
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.94
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17321883
(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914
N-(3-chlorophenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55544347
(3S)-1-(4-morpholin-4-ylsulfonylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 51717441
(3R)-N-(5-methyl-1,3-thiazol-2-yl)-1-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51720837
(3R)-N-(4-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 51720680
N-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2931278
1-(3-chlorophenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113187439
1-(3-chlorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46585961
N',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 43059071
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 41236330
1-(3-chloro-4-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 17225493

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 17321884) is N-(3-chlorophenyl)-1-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cccc(Cl)c1)C1CC(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1.
What is the InChIKey of N-(3-chlorophenyl)-1-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MWGPURDZXHYOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O5S/c22-16-2-1-3-17(13-16)23-21(27)15-12-20(26)25(14-15)18-4-6-19(7-5-18)31(28,29)24-8-10-30-11-9-24/h1-7,13,15H,8-12,14H2,(H,23,27).
What are the key properties of N-(3-chlorophenyl)-1-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(3-chlorophenyl)-1-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 463.94 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17321884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).