2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide

C22H27ClN4O5S2 — CID 58677331

IUPAC2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
SMILESO=C([C@H](Cc1ccncc1)N1CC[C@H](NS(=O)(=O)CCc2ccc(Cl)s2)C1=O)N1CCOCC1
InChIInChI=1S/C22H27ClN4O5S2/c23-20-2-1-17(33-20)6-14-34(30,31)25-18-5-9-27(21(18)28)19(15-16-3-7-24-8-4-16)22(29)26-10-12-32-13-11-26/h1-4,7-8,18-19,25H,5-6,9-15H2/t18-,19-/m0/s1
InChIKeyFCYJRYMJZGMKDB-OALUTQOASA-N
MW527.07 g/mol
LogP1.33
Rot. Bonds9

About 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide

2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide (PubChem CID 58677331) has the molecular formula C22H27ClN4O5S2 and a molecular weight of 527.07 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
PubChem CID58677331
Molecular FormulaC22H27ClN4O5S2
Molecular Weight527.07 g/mol
Exact Mass526.11
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
SMILESO=C([C@H](Cc1ccncc1)N1CC[C@H](NS(=O)(=O)CCc2ccc(Cl)s2)C1=O)N1CCOCC1
InChIInChI=1S/C22H27ClN4O5S2/c23-20-2-1-17(33-20)6-14-34(30,31)25-18-5-9-27(21(18)28)19(15-16-3-7-24-8-4-16)22(29)26-10-12-32-13-11-26/h1-4,7-8,18-19,25H,5-6,9-15H2/t18-,19-/m0/s1
InChIKeyFCYJRYMJZGMKDB-OALUTQOASA-N
XLogP1.33
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.07
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide with MolForge

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Related Compounds

CID 16125672
CID 16125672
CID 16124702
CID 16124702
CID 16125614
CID 16125614
CID 11352421
CID 11352421
CID 44443531
CID 44443531
CID 648858
CID 648858
CID 25161569
CID 25161569
CID 18561607
CID 18561607
CID 91925940
CID 91925940
CID 91925979
CID 91925979
CID 91925982
CID 91925982
CID 70071232
CID 70071232

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide (CID 58677331) is 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide is O=C([C@H](Cc1ccncc1)N1CC[C@H](NS(=O)(=O)CCc2ccc(Cl)s2)C1=O)N1CCOCC1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide?
The InChIKey is FCYJRYMJZGMKDB-OALUTQOASA-N. The full InChI is InChI=1S/C22H27ClN4O5S2/c23-20-2-1-17(33-20)6-14-34(30,31)25-18-5-9-27(21(18)28)19(15-16-3-7-24-8-4-16)22(29)26-10-12-32-13-11-26/h1-4,7-8,18-19,25H,5-6,9-15H2/t18-,19-/m0/s1.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide?
2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide has a molecular weight of 527.07 g/mol, XLogP of 1.33, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 58677331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).