2-[2-(5-chlorothiophen-2-yl)ethylsulfonyl-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]-N-methylacetamide

C21H31ClN4O7S2 — CID 58677356

IUPAC2-[2-(5-chlorothiophen-2-yl)ethylsulfonyl-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]-N-methylacetamide
SMILESCNC(=O)CN([C@H]1CCN([C@@H](COC)C(=O)N2CCOCC2)C1=O)S(=O)(=O)CCc1ccc(Cl)s1
InChIInChI=1S/C21H31ClN4O7S2/c1-23-19(27)13-26(35(30,31)12-6-15-3-4-18(22)34-15)16-5-7-25(21(16)29)17(14-32-2)20(28)24-8-10-33-11-9-24/h3-4,16-17H,5-14H2,1-2H3,(H,23,27)/t16-,17-/m0/s1
InChIKeyFKCZOJLAUKTRHQ-IRXDYDNUSA-N
MW551.09 g/mol
LogP-0.20
Rot. Bonds11

About 2-[2-(5-chlorothiophen-2-yl)ethylsulfonyl-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]-N-methylacetamide

2-[2-(5-chlorothiophen-2-yl)ethylsulfonyl-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]-N-methylacetamide (PubChem CID 58677356) has the molecular formula C21H31ClN4O7S2 and a molecular weight of 551.09 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)ethylsulfonyl-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)ethylsulfonyl-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]-N-methylacetamide
PubChem CID58677356
Molecular FormulaC21H31ClN4O7S2
Molecular Weight551.09 g/mol
Exact Mass550.13
IUPAC Name2-[2-(5-chlorothiophen-2-yl)ethylsulfonyl-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]-N-methylacetamide
SMILESCNC(=O)CN([C@H]1CCN([C@@H](COC)C(=O)N2CCOCC2)C1=O)S(=O)(=O)CCc1ccc(Cl)s1
InChIInChI=1S/C21H31ClN4O7S2/c1-23-19(27)13-26(35(30,31)12-6-15-3-4-18(22)34-15)16-5-7-25(21(16)29)17(14-32-2)20(28)24-8-10-33-11-9-24/h3-4,16-17H,5-14H2,1-2H3,(H,23,27)/t16-,17-/m0/s1
InChIKeyFKCZOJLAUKTRHQ-IRXDYDNUSA-N
XLogP-0.20
TPSA125.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.09
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2-(5-chlorothiophen-2-yl)ethylsulfonyl-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]-N-methylacetamide with MolForge

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Related Compounds

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-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-N-(2-oxobutyl)-1-benzothiophene-2-sulfonamide
CID 69058926
2-(5-chlorothiophen-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 90933936
[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid
CID 69153919
[(3S)-1-[(2S)-3-ethoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid
CID 69152376
6-chloro-N-(cyanomethyl)-N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 22017239
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8617426
2-chloro-5-(3-chloro-4-methoxybutyl)thiophene
CID 62320206
(3S)-1-[(2R)-3-ethylsulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(methylamino)pyrrolidin-2-one
CID 58677294
2-(4-chlorophenyl)-N-[1-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
CID 90765528
6-chloro-N-(furan-2-ylmethyl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 91500940
6-chloro-N-(furan-2-ylmethyl)-N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 22017226

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)ethylsulfonyl-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]-N-methylacetamide?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)ethylsulfonyl-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]-N-methylacetamide (CID 58677356) is 2-[2-(5-chlorothiophen-2-yl)ethylsulfonyl-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)ethylsulfonyl-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]-N-methylacetamide?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)ethylsulfonyl-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]-N-methylacetamide is CNC(=O)CN([C@H]1CCN([C@@H](COC)C(=O)N2CCOCC2)C1=O)S(=O)(=O)CCc1ccc(Cl)s1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)ethylsulfonyl-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]-N-methylacetamide?
The InChIKey is FKCZOJLAUKTRHQ-IRXDYDNUSA-N. The full InChI is InChI=1S/C21H31ClN4O7S2/c1-23-19(27)13-26(35(30,31)12-6-15-3-4-18(22)34-15)16-5-7-25(21(16)29)17(14-32-2)20(28)24-8-10-33-11-9-24/h3-4,16-17H,5-14H2,1-2H3,(H,23,27)/t16-,17-/m0/s1.
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)ethylsulfonyl-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]-N-methylacetamide?
2-[2-(5-chlorothiophen-2-yl)ethylsulfonyl-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]-N-methylacetamide has a molecular weight of 551.09 g/mol, XLogP of -0.20, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)ethylsulfonyl-[(3S)-1-[(2S)-3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]amino]-N-methylacetamide is sourced from PubChem (CID 58677356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).