(E)-2-(4-chlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-N-(2-oxobutyl)ethenesulfonamide

C23H30ClN3O6S — CID 10164576

IUPAC(E)-2-(4-chlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-N-(2-oxobutyl)ethenesulfonamide
SMILESCCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C23H30ClN3O6S/c1-3-20(28)16-27(34(31,32)15-9-18-4-6-19(24)7-5-18)21-8-10-26(23(21)30)17(2)22(29)25-11-13-33-14-12-25/h4-7,9,15,17,21H,3,8,10-14,16H2,1-2H3/b15-9+/t17-,21-/m0/s1
InChIKeyRMRQFOBKGJWUCD-TUAMIGAHSA-N
MW512.03 g/mol
LogP1.77
Rot. Bonds9

About (E)-2-(4-chlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-N-(2-oxobutyl)ethenesulfonamide

(E)-2-(4-chlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-N-(2-oxobutyl)ethenesulfonamide (PubChem CID 10164576) has the molecular formula C23H30ClN3O6S and a molecular weight of 512.03 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-N-(2-oxobutyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-N-(2-oxobutyl)ethenesulfonamide
PubChem CID10164576
Molecular FormulaC23H30ClN3O6S
Molecular Weight512.03 g/mol
Exact Mass511.15
IUPAC Name(E)-2-(4-chlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-N-(2-oxobutyl)ethenesulfonamide
SMILESCCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C23H30ClN3O6S/c1-3-20(28)16-27(34(31,32)15-9-18-4-6-19(24)7-5-18)21-8-10-26(23(21)30)17(2)22(29)25-11-13-33-14-12-25/h4-7,9,15,17,21H,3,8,10-14,16H2,1-2H3/b15-9+/t17-,21-/m0/s1
InChIKeyRMRQFOBKGJWUCD-TUAMIGAHSA-N
XLogP1.77
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.03
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (E)-2-(4-chlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-N-(2-oxobutyl)ethenesulfonamide 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-(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
1-{1-[(4-Chlorophenyl)methanesulfonyl]-4-fluoropyrrolidine-2-carbonyl}piperidine
CID 110876180
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-(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-(3-methylbutyl)pyrrolidin-2-one
CID 91913101
3-{4-[(2-Chloro-4-fluorophenyl)methanesulfonyl]piperazin-1-YL}-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91925774
3-{4-[(2-Fluorobenzyl)sulfonyl]piperazino}-1-(2-methoxyethyl)-2-pyrrolidinone
CID 91925776
4-{1-[(4-Chlorophenyl)methanesulfonyl]-4-fluoropyrrolidine-2-carbonyl}morpholine
CID 110876199
3-[4-(3-Chloro-4-methylbenzenesulfonyl)piperazin-1-YL]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91913071

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-N-(2-oxobutyl)ethenesulfonamide?
The IUPAC name of (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) is (E)-2-(4-chlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-N-(2-oxobutyl)ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-N-(2-oxobutyl)ethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-N-(2-oxobutyl)ethenesulfonamide is CCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-N-(2-oxobutyl)ethenesulfonamide?
The InChIKey is RMRQFOBKGJWUCD-TUAMIGAHSA-N. The full InChI is InChI=1S/C23H30ClN3O6S/c1-3-20(28)16-27(34(31,32)15-9-18-4-6-19(24)7-5-18)21-8-10-26(23(21)30)17(2)22(29)25-11-13-33-14-12-25/h4-7,9,15,17,21H,3,8,10-14,16H2,1-2H3/b15-9+/t17-,21-/m0/s1.
What are the key properties of (E)-2-(4-chlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-N-(2-oxobutyl)ethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-N-(2-oxobutyl)ethenesulfonamide has a molecular weight of 512.03 g/mol, XLogP of 1.77, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-N-(2-oxobutyl)ethenesulfonamide is sourced from PubChem (CID 10164576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).