2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide

C18H19ClN2O3S — CID 146628413

IUPAC2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide
SMILESCCc1cccc(NC(=O)c2cc(N3CCCS3(=O)=O)ccc2Cl)c1
InChIInChI=1S/C18H19ClN2O3S/c1-2-13-5-3-6-14(11-13)20-18(22)16-12-15(7-8-17(16)19)21-9-4-10-25(21,23)24/h3,5-8,11-12H,2,4,9-10H2,1H3,(H,20,22)
InChIKeyNGLGMWBZKYKCAK-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.69
Rot. Bonds4

About 2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide

2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide (PubChem CID 146628413) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide
PubChem CID146628413
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide
SMILESCCc1cccc(NC(=O)c2cc(N3CCCS3(=O)=O)ccc2Cl)c1
InChIInChI=1S/C18H19ClN2O3S/c1-2-13-5-3-6-14(11-13)20-18(22)16-12-15(7-8-17(16)19)21-9-4-10-25(21,23)24/h3,5-8,11-12H,2,4,9-10H2,1H3,(H,20,22)
InChIKeyNGLGMWBZKYKCAK-UHFFFAOYSA-N
XLogP3.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-chloro-5-ethoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668604
2,5-dichloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482807
2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685766
2-chloro-N-(3-cyano-5-methylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146628355
2-chloro-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-N-(3-propan-2-ylphenyl)benzamide
CID 146628313
2,3-dichloro-N-(3-cyano-5-ethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667641
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 112824077
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 7638744
2,3-dichloro-N-(3-chloro-5-propylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146628114
2-chloro-N-(3-chloro-5-pyrimidin-2-yloxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668619
N-(3-carbamoyl-5-propylphenyl)-2,3-dichloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668453
2-bromo-N-(3-chloro-5-methylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668889

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide?
The IUPAC name of 2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide (CID 146628413) is 2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide.
What is the SMILES notation for 2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide?
The canonical SMILES for 2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide is CCc1cccc(NC(=O)c2cc(N3CCCS3(=O)=O)ccc2Cl)c1.
What is the InChIKey of 2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide?
The InChIKey is NGLGMWBZKYKCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-2-13-5-3-6-14(11-13)20-18(22)16-12-15(7-8-17(16)19)21-9-4-10-25(21,23)24/h3,5-8,11-12H,2,4,9-10H2,1H3,(H,20,22).
What are the key properties of 2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide?
2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide has a molecular weight of 378.88 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide is sourced from PubChem (CID 146628413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).