2-chloro-N-(3,5-dimethoxyphenyl)-3-methyl-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide

C19H21ClN2O4S — CID 146667565

IUPAC2-chloro-N-(3,5-dimethoxyphenyl)-3-methyl-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide
SMILESCOc1cc(NC(=O)c2cc(N3CCCS3=O)cc(C)c2Cl)cc(OC)c1
InChIInChI=1S/C19H21ClN2O4S/c1-12-7-14(22-5-4-6-27(22)24)10-17(18(12)20)19(23)21-13-8-15(25-2)11-16(9-13)26-3/h7-11H,4-6H2,1-3H3,(H,21,23)
InChIKeyJXISSUMJDWFBHR-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.79
Rot. Bonds5

About 2-chloro-N-(3,5-dimethoxyphenyl)-3-methyl-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide

2-chloro-N-(3,5-dimethoxyphenyl)-3-methyl-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 146667565) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethoxyphenyl)-3-methyl-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethoxyphenyl)-3-methyl-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID146667565
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name2-chloro-N-(3,5-dimethoxyphenyl)-3-methyl-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide
SMILESCOc1cc(NC(=O)c2cc(N3CCCS3=O)cc(C)c2Cl)cc(OC)c1
InChIInChI=1S/C19H21ClN2O4S/c1-12-7-14(22-5-4-6-27(22)24)10-17(18(12)20)19(23)21-13-8-15(25-2)11-16(9-13)26-3/h7-11H,4-6H2,1-3H3,(H,21,23)
InChIKeyJXISSUMJDWFBHR-UHFFFAOYSA-N
XLogP3.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-chloro-5-methoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbenzamide
CID 146668607
N-(3,5-dimethoxyphenyl)-2-methylbenzamide
CID 9096893
2-chloro-N-(3,5-dimethoxyphenyl)-4-methylbenzamide
CID 885585
2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide
CID 30272266
2-chloro-N-[3-methyl-5-(oxolan-3-yl)phenyl]-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide
CID 146668859
N-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide
CID 33219668
2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide
CID 107020390
N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 2200296
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141
1-[(4-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 20929946
1-(3-chloro-4-methylphenyl)-N-(3,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146051847
2,6-dichloro-N-(3,5-dimethoxyphenyl)benzamide
CID 891393

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dimethoxyphenyl)-3-methyl-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(3,5-dimethoxyphenyl)-3-methyl-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide (CID 146667565) is 2-chloro-N-(3,5-dimethoxyphenyl)-3-methyl-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(3,5-dimethoxyphenyl)-3-methyl-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(3,5-dimethoxyphenyl)-3-methyl-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide is COc1cc(NC(=O)c2cc(N3CCCS3=O)cc(C)c2Cl)cc(OC)c1.
What is the InChIKey of 2-chloro-N-(3,5-dimethoxyphenyl)-3-methyl-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is JXISSUMJDWFBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-12-7-14(22-5-4-6-27(22)24)10-17(18(12)20)19(23)21-13-8-15(25-2)11-16(9-13)26-3/h7-11H,4-6H2,1-3H3,(H,21,23).
What are the key properties of 2-chloro-N-(3,5-dimethoxyphenyl)-3-methyl-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
2-chloro-N-(3,5-dimethoxyphenyl)-3-methyl-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 408.91 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dimethoxyphenyl)-3-methyl-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 146667565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).