2-(4-chlorophenyl)-N-[(3S)-1-[(1S)-1-methoxy-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide

C19H24ClN3O7S — CID 69153135

IUPAC2-(4-chlorophenyl)-N-[(3S)-1-[(1S)-1-methoxy-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide
SMILESCO[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)CC(=O)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H24ClN3O7S/c1-29-19(18(26)22-8-10-30-11-9-22)23-7-6-15(17(23)25)21-31(27,28)12-16(24)13-2-4-14(20)5-3-13/h2-5,15,19,21H,6-12H2,1H3/t15-,19-/m0/s1
InChIKeyNCWJOONFOXFFER-KXBFYZLASA-N
MW473.94 g/mol
LogP-0.13
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[(3S)-1-[(1S)-1-methoxy-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide

2-(4-chlorophenyl)-N-[(3S)-1-[(1S)-1-methoxy-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide (PubChem CID 69153135) has the molecular formula C19H24ClN3O7S and a molecular weight of 473.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3S)-1-[(1S)-1-methoxy-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(3S)-1-[(1S)-1-methoxy-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide
PubChem CID69153135
Molecular FormulaC19H24ClN3O7S
Molecular Weight473.94 g/mol
Exact Mass473.10
IUPAC Name2-(4-chlorophenyl)-N-[(3S)-1-[(1S)-1-methoxy-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide
SMILESCO[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)CC(=O)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H24ClN3O7S/c1-29-19(18(26)22-8-10-30-11-9-22)23-7-6-15(17(23)25)21-31(27,28)12-16(24)13-2-4-14(20)5-3-13/h2-5,15,19,21H,6-12H2,1H3/t15-,19-/m0/s1
InChIKeyNCWJOONFOXFFER-KXBFYZLASA-N
XLogP-0.13
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.94
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3S)-1-[(1S)-1-methoxy-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(3S)-1-[(1S)-1-methoxy-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide (CID 69153135) is 2-(4-chlorophenyl)-N-[(3S)-1-[(1S)-1-methoxy-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3S)-1-[(1S)-1-methoxy-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(3S)-1-[(1S)-1-methoxy-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide is CO[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)CC(=O)c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(3S)-1-[(1S)-1-methoxy-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide?
The InChIKey is NCWJOONFOXFFER-KXBFYZLASA-N. The full InChI is InChI=1S/C19H24ClN3O7S/c1-29-19(18(26)22-8-10-30-11-9-22)23-7-6-15(17(23)25)21-31(27,28)12-16(24)13-2-4-14(20)5-3-13/h2-5,15,19,21H,6-12H2,1H3/t15-,19-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(3S)-1-[(1S)-1-methoxy-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide?
2-(4-chlorophenyl)-N-[(3S)-1-[(1S)-1-methoxy-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide has a molecular weight of 473.94 g/mol, XLogP of -0.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(3S)-1-[(1S)-1-methoxy-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl]-2-oxoethanesulfonamide is sourced from PubChem (CID 69153135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).