(3S)-1-(3-chlorophenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide

C22H26ClN3O4S2 — CID 95086819

IUPAC(3S)-1-(3-chlorophenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc(CNC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)s2)CC1
InChIInChI=1S/C22H26ClN3O4S2/c1-15-7-9-25(10-8-15)32(29,30)21-6-5-19(31-21)13-24-22(28)16-11-20(27)26(14-16)18-4-2-3-17(23)12-18/h2-6,12,15-16H,7-11,13-14H2,1H3,(H,24,28)/t16-/m0/s1
InChIKeyOKMMGNHHCCOUTI-INIZCTEOSA-N
MW496.05 g/mol
LogP3.49
Rot. Bonds6

About (3S)-1-(3-chlorophenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(3-chlorophenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95086819) has the molecular formula C22H26ClN3O4S2 and a molecular weight of 496.05 g/mol. Its IUPAC name is (3S)-1-(3-chlorophenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-chlorophenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID95086819
Molecular FormulaC22H26ClN3O4S2
Molecular Weight496.05 g/mol
Exact Mass495.11
IUPAC Name(3S)-1-(3-chlorophenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc(CNC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)s2)CC1
InChIInChI=1S/C22H26ClN3O4S2/c1-15-7-9-25(10-8-15)32(29,30)21-6-5-19(31-21)13-24-22(28)16-11-20(27)26(14-16)18-4-2-3-17(23)12-18/h2-6,12,15-16H,7-11,13-14H2,1H3,(H,24,28)/t16-/m0/s1
InChIKeyOKMMGNHHCCOUTI-INIZCTEOSA-N
XLogP3.49
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.05
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-(3-chlorophenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 53112344
(3R)-1-(3-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 95086836
(3R)-N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95086824
(3S)-N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95086825
1-(4-methylphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46384839
1-(3-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 46581333
N-[(5-methylthiophen-2-yl)methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55749611
(3S)-N-(cyanomethyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 9402641
N',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 43059071
1-(3-chloro-4-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 17225493
1-(3-chloro-4-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 5072256
2-(4-methylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide
CID 53112401

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-chlorophenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-chlorophenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 95086819) is (3S)-1-(3-chlorophenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-chlorophenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-chlorophenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide is CC1CCN(S(=O)(=O)c2ccc(CNC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)s2)CC1.
What is the InChIKey of (3S)-1-(3-chlorophenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OKMMGNHHCCOUTI-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26ClN3O4S2/c1-15-7-9-25(10-8-15)32(29,30)21-6-5-19(31-21)13-24-22(28)16-11-20(27)26(14-16)18-4-2-3-17(23)12-18/h2-6,12,15-16H,7-11,13-14H2,1H3,(H,24,28)/t16-/m0/s1.
What are the key properties of (3S)-1-(3-chlorophenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(3-chlorophenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 496.05 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-chlorophenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95086819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).