(3R)-1-(3-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide

C18H20ClN3O4S2 — CID 95086836

IUPAC(3R)-1-(3-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)s1
InChIInChI=1S/C18H20ClN3O4S2/c1-21(2)28(25,26)17-7-6-15(27-17)10-20-18(24)12-8-16(23)22(11-12)14-5-3-4-13(19)9-14/h3-7,9,12H,8,10-11H2,1-2H3,(H,20,24)/t12-/m1/s1
InChIKeyWPUNGMBXHWUKBP-GFCCVEGCSA-N
MW441.96 g/mol
LogP2.32
Rot. Bonds6

About (3R)-1-(3-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(3-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95086836) has the molecular formula C18H20ClN3O4S2 and a molecular weight of 441.96 g/mol. Its IUPAC name is (3R)-1-(3-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID95086836
Molecular FormulaC18H20ClN3O4S2
Molecular Weight441.96 g/mol
Exact Mass441.06
IUPAC Name(3R)-1-(3-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)s1
InChIInChI=1S/C18H20ClN3O4S2/c1-21(2)28(25,26)17-7-6-15(27-17)10-20-18(24)12-8-16(23)22(11-12)14-5-3-4-13(19)9-14/h3-7,9,12H,8,10-11H2,1-2H3,(H,20,24)/t12-/m1/s1
InChIKeyWPUNGMBXHWUKBP-GFCCVEGCSA-N
XLogP2.32
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(3-chlorophenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 95086819
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
1-(3-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 42953029
(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-(3,4-dimethylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 53112344
1-(3-chlorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]-5-oxopyrrolidine-3-carboxamide
CID 55618843
1-(4-methylphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46384839
1-(3-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 46401098
(3S)-N-(4-acetamidophenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090585
1-(3-chlorophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42953054

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 95086836) is (3R)-1-(3-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide is CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)s1.
What is the InChIKey of (3R)-1-(3-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WPUNGMBXHWUKBP-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20ClN3O4S2/c1-21(2)28(25,26)17-7-6-15(27-17)10-20-18(24)12-8-16(23)22(11-12)14-5-3-4-13(19)9-14/h3-7,9,12H,8,10-11H2,1-2H3,(H,20,24)/t12-/m1/s1.
What are the key properties of (3R)-1-(3-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(3-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 441.96 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95086836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).