2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide

C21H27ClN4O6S — CID 10141679

IUPAC2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide
SMILESC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](N(CC(N)=O)S(=O)(=O)/C=C/c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C21H27ClN4O6S/c1-15(20(28)24-9-11-32-12-10-24)25-8-6-18(21(25)29)26(14-19(23)27)33(30,31)13-7-16-2-4-17(22)5-3-16/h2-5,7,13,15,18H,6,8-12,14H2,1H3,(H2,23,27)/b13-7+/t15-,18-/m0/s1
InChIKeyUKXUKYYQADFHCP-KUJPFMKMSA-N
MW498.99 g/mol
LogP0.28
Rot. Bonds8

About 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide

2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide (PubChem CID 10141679) has the molecular formula C21H27ClN4O6S and a molecular weight of 498.99 g/mol. Its IUPAC name is 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide
PubChem CID10141679
Molecular FormulaC21H27ClN4O6S
Molecular Weight498.99 g/mol
Exact Mass498.13
IUPAC Name2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide
SMILESC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](N(CC(N)=O)S(=O)(=O)/C=C/c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C21H27ClN4O6S/c1-15(20(28)24-9-11-32-12-10-24)25-8-6-18(21(25)29)26(14-19(23)27)33(30,31)13-7-16-2-4-17(22)5-3-16/h2-5,7,13,15,18H,6,8-12,14H2,1H3,(H2,23,27)/b13-7+/t15-,18-/m0/s1
InChIKeyUKXUKYYQADFHCP-KUJPFMKMSA-N
XLogP0.28
TPSA130.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.99
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
(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-(3-Chloro-4-methylbenzenesulfonyl)piperazin-1-YL]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91913071
3-[4-(Benzylsulfonyl)piperazino]-1-(2-methoxyethyl)-2-pyrrolidinone
CID 91925736
3-{4-[(4-Chloro-2-methylphenyl)sulfonyl]piperazino}-1-(2-methoxyethyl)-2-pyrrolidinone
CID 91925758
3-{4-[(2-Chlorobenzyl)sulfonyl]piperazino}-1-(2-methoxyethyl)-2-pyrrolidinone
CID 91925773

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide?
The IUPAC name of 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) is 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide.
What is the SMILES notation for 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide?
The canonical SMILES for 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide is C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](N(CC(N)=O)S(=O)(=O)/C=C/c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide?
The InChIKey is UKXUKYYQADFHCP-KUJPFMKMSA-N. The full InChI is InChI=1S/C21H27ClN4O6S/c1-15(20(28)24-9-11-32-12-10-24)25-8-6-18(21(25)29)26(14-19(23)27)33(30,31)13-7-16-2-4-17(22)5-3-16/h2-5,7,13,15,18H,6,8-12,14H2,1H3,(H2,23,27)/b13-7+/t15-,18-/m0/s1.
What are the key properties of 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide?
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide has a molecular weight of 498.99 g/mol, XLogP of 0.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide is sourced from PubChem (CID 10141679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).