2-(4-chlorophenyl)-2-methyl-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]propane-1-sulfonamide

C24H36ClN3O5S — CID 44533006

IUPAC2-(4-chlorophenyl)-2-methyl-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]propane-1-sulfonamide
SMILESCC[C@H](C)[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)CC(C)(C)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C24H36ClN3O5S/c1-5-17(2)21(23(30)27-12-14-33-15-13-27)28-11-10-20(22(28)29)26-34(31,32)16-24(3,4)18-6-8-19(25)9-7-18/h6-9,17,20-21,26H,5,10-16H2,1-4H3/t17-,20-,21-/m0/s1
InChIKeyOQPYRQVSAVJNIP-YYWHXJBOSA-N
MW514.09 g/mol
LogP2.41
Rot. Bonds9

About 2-(4-chlorophenyl)-2-methyl-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]propane-1-sulfonamide

2-(4-chlorophenyl)-2-methyl-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]propane-1-sulfonamide (PubChem CID 44533006) has the molecular formula C24H36ClN3O5S and a molecular weight of 514.09 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-methyl-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-methyl-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]propane-1-sulfonamide
PubChem CID44533006
Molecular FormulaC24H36ClN3O5S
Molecular Weight514.09 g/mol
Exact Mass513.21
IUPAC Name2-(4-chlorophenyl)-2-methyl-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]propane-1-sulfonamide
SMILESCC[C@H](C)[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)CC(C)(C)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C24H36ClN3O5S/c1-5-17(2)21(23(30)27-12-14-33-15-13-27)28-11-10-20(22(28)29)26-34(31,32)16-24(3,4)18-6-8-19(25)9-7-18/h6-9,17,20-21,26H,5,10-16H2,1-4H3/t17-,20-,21-/m0/s1
InChIKeyOQPYRQVSAVJNIP-YYWHXJBOSA-N
XLogP2.41
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.09
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-2-methyl-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]propane-1-sulfonamide with MolForge

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Related Compounds

(E)-2-(4-Chlorophenyl)-N-{(3s)-1-[(2s)-1-(Morpholin-4-Yl)-1-Oxopropan-2-Yl]-2-Oxopyrrolidin-3-Yl}ethenesulfonamide
CID 9803364
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide
CID 10141679
(E)-2-(4-chlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-N-(2-oxobutyl)ethenesulfonamide
CID 10164576
(E)-2-(4-chlorophenyl)-N-(cyanomethyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 10227693
methyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetate
CID 10301325
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetic acid
CID 69065287
3-{4-[(2-Chloro-4-fluorophenyl)methanesulfonyl]piperazin-1-YL}-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91925774
4-{1-[(4-Chlorophenyl)methanesulfonyl]-4-fluoropyrrolidine-2-carbonyl}morpholine
CID 110876199
3-{4-[(2-Chlorobenzyl)sulfonyl]piperazino}-1-(2-methoxyethyl)-2-pyrrolidinone
CID 91925773
3-{4-[(3-Chlorophenyl)methanesulfonyl]piperazin-1-YL}-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91925775
N-[(4-Chlorophenyl)methyl]-2-[N-(2-methoxyethyl)propane-1-sulfonamido]-N-(1-pentanoylpiperidin-4-YL)acetamide
CID 46108225
(Z)-2-(4-chlorophenyl)-2-fluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 10434369

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-methyl-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]propane-1-sulfonamide?
The IUPAC name of 2-(4-chlorophenyl)-2-methyl-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]propane-1-sulfonamide (CID 44533006) is 2-(4-chlorophenyl)-2-methyl-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]propane-1-sulfonamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-methyl-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]propane-1-sulfonamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-methyl-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]propane-1-sulfonamide is CC[C@H](C)[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)CC(C)(C)c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-(4-chlorophenyl)-2-methyl-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]propane-1-sulfonamide?
The InChIKey is OQPYRQVSAVJNIP-YYWHXJBOSA-N. The full InChI is InChI=1S/C24H36ClN3O5S/c1-5-17(2)21(23(30)27-12-14-33-15-13-27)28-11-10-20(22(28)29)26-34(31,32)16-24(3,4)18-6-8-19(25)9-7-18/h6-9,17,20-21,26H,5,10-16H2,1-4H3/t17-,20-,21-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-2-methyl-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]propane-1-sulfonamide?
2-(4-chlorophenyl)-2-methyl-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]propane-1-sulfonamide has a molecular weight of 514.09 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-methyl-N-[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]propane-1-sulfonamide is sourced from PubChem (CID 44533006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).