(2S,3S)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide

C23H27ClN4O5S — CID 155518447

IUPAC(2S,3S)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)C[C@H](C(=O)NCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H27ClN4O5S/c24-17-3-1-16(2-4-17)22-20(23(30)26-9-10-27-11-13-33-14-12-27)15-21(29)28(22)18-5-7-19(8-6-18)34(25,31)32/h1-8,20,22H,9-15H2,(H,26,30)(H2,25,31,32)/t20-,22+/m0/s1
InChIKeyUKLYQVJGVRTICD-RBBKRZOGSA-N
MW507.01 g/mol
LogP1.53
Rot. Bonds7

About (2S,3S)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide

(2S,3S)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide (PubChem CID 155518447) has the molecular formula C23H27ClN4O5S and a molecular weight of 507.01 g/mol. Its IUPAC name is (2S,3S)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
PubChem CID155518447
Molecular FormulaC23H27ClN4O5S
Molecular Weight507.01 g/mol
Exact Mass506.14
IUPAC Name(2S,3S)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)C[C@H](C(=O)NCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H27ClN4O5S/c24-17-3-1-16(2-4-17)22-20(23(30)26-9-10-27-11-13-33-14-12-27)15-21(29)28(22)18-5-7-19(8-6-18)34(25,31)32/h1-8,20,22H,9-15H2,(H,26,30)(H2,25,31,32)/t20-,22+/m0/s1
InChIKeyUKLYQVJGVRTICD-RBBKRZOGSA-N
XLogP1.53
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.01
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-2-(4-chlorophenyl)-N-(2-hydroxyethyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 155538083
(2S,3S)-2-(4-chlorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 155542691
2-[[(2S,3S)-2-(4-chlorophenyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 155552113
2-[[(2S,3S)-2-(4-chlorophenyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]ethyl acetate
CID 155555084
3-[[(2S,3S)-2-(4-chlorophenyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 155563623
(2S,3S)-2-(4-chlorophenyl)-N-(3-hydroxypropyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 155564664
(2S,3S)-2-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 155566378
(2S,3S)-2-(4-chlorophenyl)-5-oxo-N-(3-pyrrolidin-1-ylpropyl)-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 155566755
methyl 3-[[(2S,3S)-2-(4-chlorophenyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoate
CID 155569151
4-chloro-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 997370
2-(4-chlorophenyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]acetamide
CID 1164400
1-(3-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2985943

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (2S,3S)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide (CID 155518447) is (2S,3S)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide is NS(=O)(=O)c1ccc(N2C(=O)C[C@H](C(=O)NCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S,3S)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is UKLYQVJGVRTICD-RBBKRZOGSA-N. The full InChI is InChI=1S/C23H27ClN4O5S/c24-17-3-1-16(2-4-17)22-20(23(30)26-9-10-27-11-13-33-14-12-27)15-21(29)28(22)18-5-7-19(8-6-18)34(25,31)32/h1-8,20,22H,9-15H2,(H,26,30)(H2,25,31,32)/t20-,22+/m0/s1.
What are the key properties of (2S,3S)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
(2S,3S)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 507.01 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 155518447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).