(3R)-1-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C20H20ClN3O3S — CID 7337191

IUPAC(3R)-1-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1(C)CC(=O)c2sc(NC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)nc2C1
InChIInChI=1S/C20H20ClN3O3S/c1-20(2)8-14-17(15(25)9-20)28-19(22-14)23-18(27)11-7-16(26)24(10-11)13-5-3-12(21)4-6-13/h3-6,11H,7-10H2,1-2H3,(H,22,23,27)/t11-/m1/s1
InChIKeyNGTKDFQSYHNVKY-LLVKDONJSA-N
MW417.92 g/mol
LogP3.94
Rot. Bonds3

About (3R)-1-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 7337191) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is (3R)-1-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID7337191
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC Name(3R)-1-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1(C)CC(=O)c2sc(NC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)nc2C1
InChIInChI=1S/C20H20ClN3O3S/c1-20(2)8-14-17(15(25)9-20)28-19(22-14)23-18(27)11-7-16(26)24(10-11)13-5-3-12(21)4-6-13/h3-6,11H,7-10H2,1-2H3,(H,22,23,27)/t11-/m1/s1
InChIKeyNGTKDFQSYHNVKY-LLVKDONJSA-N
XLogP3.94
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-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

(3S)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40964252
1-(4-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108787231
1-cyclohexyl-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 3637915
1-(4-chlorophenyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90543646
(3S)-1-butyl-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 9399625
6-chloro-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 55732003
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497606
(3R)-1-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 7438824
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55853252
1-(4-chlorophenyl)-N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90530792
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082058
(3R)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 33039214

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 7337191) is (3R)-1-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is CC1(C)CC(=O)c2sc(NC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)nc2C1.
What is the InChIKey of (3R)-1-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NGTKDFQSYHNVKY-LLVKDONJSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-20(2)8-14-17(15(25)9-20)28-19(22-14)23-18(27)11-7-16(26)24(10-11)13-5-3-12(21)4-6-13/h3-6,11H,7-10H2,1-2H3,(H,22,23,27)/t11-/m1/s1.
What are the key properties of (3R)-1-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 417.92 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 7337191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).