2-chloro-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-N-(3-propan-2-ylphenyl)benzamide

C19H23ClN2O3S — CID 146628313

IUPAC2-chloro-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2cc(N3CCCS3(O)O)ccc2Cl)c1
InChIInChI=1S/C19H23ClN2O3S/c1-13(2)14-5-3-6-15(11-14)21-19(23)17-12-16(7-8-18(17)20)22-9-4-10-26(22,24)25/h3,5-8,11-13,24-25H,4,9-10H2,1-2H3,(H,21,23)
InChIKeyJRGZDBZOTVVTDT-UHFFFAOYSA-N
MW394.92 g/mol
LogP5.59
Rot. Bonds4

About 2-chloro-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-N-(3-propan-2-ylphenyl)benzamide

2-chloro-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 146628313) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-chloro-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-N-(3-propan-2-ylphenyl)benzamide
PubChem CID146628313
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-chloro-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2cc(N3CCCS3(O)O)ccc2Cl)c1
InChIInChI=1S/C19H23ClN2O3S/c1-13(2)14-5-3-6-15(11-14)21-19(23)17-12-16(7-8-18(17)20)22-9-4-10-26(22,24)25/h3,5-8,11-13,24-25H,4,9-10H2,1-2H3,(H,21,23)
InChIKeyJRGZDBZOTVVTDT-UHFFFAOYSA-N
XLogP5.59
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.92
LogP ≤ 55.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide
CID 146628612
2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide
CID 146628413
2,5-dichloro-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 91676947
2,3-dichloro-N-(3-chloro-5-prop-1-en-2-ylphenyl)-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide
CID 146628430
N-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide
CID 151521075
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide
CID 55702473
4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide
CID 27162860
4-chloro-6-methyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide
CID 81225795
2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685766
3,5-dichloro-4-methoxy-N-(3-propan-2-ylphenyl)benzamide
CID 18276879
3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide
CID 107999233
2,5-dichloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482807

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 2-chloro-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-N-(3-propan-2-ylphenyl)benzamide (CID 146628313) is 2-chloro-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 2-chloro-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 2-chloro-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-N-(3-propan-2-ylphenyl)benzamide is CC(C)c1cccc(NC(=O)c2cc(N3CCCS3(O)O)ccc2Cl)c1.
What is the InChIKey of 2-chloro-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is JRGZDBZOTVVTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-13(2)14-5-3-6-15(11-14)21-19(23)17-12-16(7-8-18(17)20)22-9-4-10-26(22,24)25/h3,5-8,11-13,24-25H,4,9-10H2,1-2H3,(H,21,23).
What are the key properties of 2-chloro-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-N-(3-propan-2-ylphenyl)benzamide?
2-chloro-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 394.92 g/mol, XLogP of 5.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 146628313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).