2-(4-chlorophenyl)-N-[1-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide

C21H30ClN3O5S — CID 90765528

IUPAC2-(4-chlorophenyl)-N-[1-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
SMILESCC(C)[C@@H](C(=O)N1CCOCC1)N1CCC(NS(=O)(=O)CCc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C21H30ClN3O5S/c1-15(2)19(21(27)24-10-12-30-13-11-24)25-9-7-18(20(25)26)23-31(28,29)14-8-16-3-5-17(22)6-4-16/h3-6,15,18-19,23H,7-14H2,1-2H3/t18?,19-/m0/s1
InChIKeyYLBSTJASPZWGNS-GGYWPGCISA-N
MW472.01 g/mol
LogP1.29
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[1-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide

2-(4-chlorophenyl)-N-[1-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide (PubChem CID 90765528) has the molecular formula C21H30ClN3O5S and a molecular weight of 472.01 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
PubChem CID90765528
Molecular FormulaC21H30ClN3O5S
Molecular Weight472.01 g/mol
Exact Mass471.16
IUPAC Name2-(4-chlorophenyl)-N-[1-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
SMILESCC(C)[C@@H](C(=O)N1CCOCC1)N1CCC(NS(=O)(=O)CCc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C21H30ClN3O5S/c1-15(2)19(21(27)24-10-12-30-13-11-24)25-9-7-18(20(25)26)23-31(28,29)14-8-16-3-5-17(22)6-4-16/h3-6,15,18-19,23H,7-14H2,1-2H3/t18?,19-/m0/s1
InChIKeyYLBSTJASPZWGNS-GGYWPGCISA-N
XLogP1.29
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.01
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-N-[1-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dichlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
CID 58677334
2-(4-chlorophenyl)-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide
CID 58677244
2-(4-chlorophenyl)-2,2-difluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
CID 58677347
2-(4-chlorophenyl)-N-[(3S)-1-[(1S)-1-methoxy-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide
CID 69153135
(Z)-2-(4-chlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]prop-1-ene-1-sulfonamide
CID 69152516
2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
CID 58677252
5-chloro-N-[(3S)-1-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-oxopyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide
CID 138692922
N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 69056359
2-(5-chlorothiophen-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 90933936
5-(5-chloro-1,3,4-thiadiazol-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 91037788
[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid
CID 69153138
2-(4-chlorophenyl)-N-[5-oxo-1-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2H-pyrrol-4-yl]ethanesulfonamide
CID 91524101

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide (CID 90765528) is 2-(4-chlorophenyl)-N-[1-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide is CC(C)[C@@H](C(=O)N1CCOCC1)N1CCC(NS(=O)(=O)CCc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide?
The InChIKey is YLBSTJASPZWGNS-GGYWPGCISA-N. The full InChI is InChI=1S/C21H30ClN3O5S/c1-15(2)19(21(27)24-10-12-30-13-11-24)25-9-7-18(20(25)26)23-31(28,29)14-8-16-3-5-17(22)6-4-16/h3-6,15,18-19,23H,7-14H2,1-2H3/t18?,19-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[1-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide?
2-(4-chlorophenyl)-N-[1-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide has a molecular weight of 472.01 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[1-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 90765528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).