(4S)-2-[3-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one

C23H26ClN3O4S — CID 26833626

IUPAC(4S)-2-[3-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCc1cccc(N2CCN(C(=O)c3ccc(N4C(=O)[C@H](C)CS4(=O)=O)cc3Cl)CC2)c1C
InChIInChI=1S/C23H26ClN3O4S/c1-15-5-4-6-21(17(15)3)25-9-11-26(12-10-25)23(29)19-8-7-18(13-20(19)24)27-22(28)16(2)14-32(27,30)31/h4-8,13,16H,9-12,14H2,1-3H3/t16-/m1/s1
InChIKeyWPRYOIOWVWANHJ-MRXNPFEDSA-N
MW476.00 g/mol
LogP3.23
Rot. Bonds3

About (4S)-2-[3-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one

(4S)-2-[3-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 26833626) has the molecular formula C23H26ClN3O4S and a molecular weight of 476.00 g/mol. Its IUPAC name is (4S)-2-[3-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name(4S)-2-[3-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID26833626
Molecular FormulaC23H26ClN3O4S
Molecular Weight476.00 g/mol
Exact Mass475.13
IUPAC Name(4S)-2-[3-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCc1cccc(N2CCN(C(=O)c3ccc(N4C(=O)[C@H](C)CS4(=O)=O)cc3Cl)CC2)c1C
InChIInChI=1S/C23H26ClN3O4S/c1-15-5-4-6-21(17(15)3)25-9-11-26(12-10-25)23(29)19-8-7-18(13-20(19)24)27-22(28)16(2)14-32(27,30)31/h4-8,13,16H,9-12,14H2,1-3H3/t16-/m1/s1
InChIKeyWPRYOIOWVWANHJ-MRXNPFEDSA-N
XLogP3.23
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-2-[3-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one 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

2-chloro-N-(2,3-dimethylphenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26833661
(4S)-2-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
CID 42228069
2-chloro-N-(2,3-dichlorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007313
2-chloro-N-(3,4-dimethylphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997077
2-chloro-N-(4-chloro-2-methylphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007276
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
(4-chloro-2-methoxyphenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 71822590
(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 26881725
2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-prop-2-enylbenzamide
CID 21007236
2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007345
2-chloro-N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997031
(4-chloro-2-nitrophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1345074

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[3-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of (4S)-2-[3-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one (CID 26833626) is (4S)-2-[3-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for (4S)-2-[3-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for (4S)-2-[3-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one is Cc1cccc(N2CCN(C(=O)c3ccc(N4C(=O)[C@H](C)CS4(=O)=O)cc3Cl)CC2)c1C.
What is the InChIKey of (4S)-2-[3-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is WPRYOIOWVWANHJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H26ClN3O4S/c1-15-5-4-6-21(17(15)3)25-9-11-26(12-10-25)23(29)19-8-7-18(13-20(19)24)27-22(28)16(2)14-32(27,30)31/h4-8,13,16H,9-12,14H2,1-3H3/t16-/m1/s1.
What are the key properties of (4S)-2-[3-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one?
(4S)-2-[3-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 476.00 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[3-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 26833626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).