2-(2,4-dichlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide

C19H25Cl2N3O5S — CID 58677334

IUPAC2-(2,4-dichlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
SMILESC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)CCc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C19H25Cl2N3O5S/c1-13(18(25)23-7-9-29-10-8-23)24-6-4-17(19(24)26)22-30(27,28)11-5-14-2-3-15(20)12-16(14)21/h2-3,12-13,17,22H,4-11H2,1H3/t13-,17-/m0/s1
InChIKeyPATFVQVUBLFOAR-GUYCJALGSA-N
MW478.40 g/mol
LogP1.30
Rot. Bonds7

About 2-(2,4-dichlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide

2-(2,4-dichlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide (PubChem CID 58677334) has the molecular formula C19H25Cl2N3O5S and a molecular weight of 478.40 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
PubChem CID58677334
Molecular FormulaC19H25Cl2N3O5S
Molecular Weight478.40 g/mol
Exact Mass477.09
IUPAC Name2-(2,4-dichlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
SMILESC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)CCc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C19H25Cl2N3O5S/c1-13(18(25)23-7-9-29-10-8-23)24-6-4-17(19(24)26)22-30(27,28)11-5-14-2-3-15(20)12-16(14)21/h2-3,12-13,17,22H,4-11H2,1H3/t13-,17-/m0/s1
InChIKeyPATFVQVUBLFOAR-GUYCJALGSA-N
XLogP1.30
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide (CID 58677334) is 2-(2,4-dichlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide is C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)CCc2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide?
The InChIKey is PATFVQVUBLFOAR-GUYCJALGSA-N. The full InChI is InChI=1S/C19H25Cl2N3O5S/c1-13(18(25)23-7-9-29-10-8-23)24-6-4-17(19(24)26)22-30(27,28)11-5-14-2-3-15(20)12-16(14)21/h2-3,12-13,17,22H,4-11H2,1H3/t13-,17-/m0/s1.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide?
2-(2,4-dichlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide has a molecular weight of 478.40 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 58677334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).