4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-propan-2-ylphenyl)benzamide

C20H22N2O4S — CID 26824324

IUPAC4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1
InChIInChI=1S/C20H22N2O4S/c1-13(2)17-6-4-5-7-18(17)21-19(23)15-8-10-16(11-9-15)22-20(24)14(3)12-27(22,25)26/h4-11,13-14H,12H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyABASLDUOWJUNIC-CQSZACIVSA-N
MW386.47 g/mol
LogP3.37
Rot. Bonds4

About 4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-propan-2-ylphenyl)benzamide

4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 26824324) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-propan-2-ylphenyl)benzamide
PubChem CID26824324
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1
InChIInChI=1S/C20H22N2O4S/c1-13(2)17-6-4-5-7-18(17)21-19(23)15-8-10-16(11-9-15)22-20(24)14(3)12-27(22,25)26/h4-11,13-14H,12H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyABASLDUOWJUNIC-CQSZACIVSA-N
XLogP3.37
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824340
N-(2,4-dimethylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824288
N-(4-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824282
N-(3-acetamidophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824444
4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzamide
CID 42349852
N-(4-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996699
N-(4-bromophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824391
N-(2-methoxy-5-methylphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996717
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006967
N-(2,4-dimethoxyphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996721
N-(3-fluorophenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42349780
3-[[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzoic acid
CID 28811757

Frequently Asked Questions

What is the IUPAC name of 4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-propan-2-ylphenyl)benzamide (CID 26824324) is 4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-propan-2-ylphenyl)benzamide is CC(C)c1ccccc1NC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1.
What is the InChIKey of 4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is ABASLDUOWJUNIC-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-13(2)17-6-4-5-7-18(17)21-19(23)15-8-10-16(11-9-15)22-20(24)14(3)12-27(22,25)26/h4-11,13-14H,12H2,1-3H3,(H,21,23)/t14-/m1/s1.
What are the key properties of 4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-propan-2-ylphenyl)benzamide?
4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 386.47 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 26824324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).