3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide

C19H22N2O3S — CID 46586730

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1
InChIInChI=1S/C19H22N2O3S/c1-14-7-9-16(10-8-14)15(2)20-19(22)17-5-3-6-18(13-17)21-11-4-12-25(21,23)24/h3,5-10,13,15H,4,11-12H2,1-2H3,(H,20,22)
InChIKeyMBTAZTACUIDAFK-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.03
Rot. Bonds4

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide (PubChem CID 46586730) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide
PubChem CID46586730
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1
InChIInChI=1S/C19H22N2O3S/c1-14-7-9-16(10-8-14)15(2)20-19(22)17-5-3-6-18(13-17)21-11-4-12-25(21,23)24/h3,5-10,13,15H,4,11-12H2,1-2H3,(H,20,22)
InChIKeyMBTAZTACUIDAFK-UHFFFAOYSA-N
XLogP3.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 132664679
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 42333076
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18591757
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 25493244
(2S,3S)-2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-3-methylpentanoic acid
CID 119194008
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-phenylethyl)benzamide
CID 18108333
N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide
CID 126795841
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
CID 24596783
3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 7685970
N-[1-(3,4-dimethylphenyl)propyl]-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 132661357
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 18134910
N-[1-(3-benzamidophenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55693559

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide (CID 46586730) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide?
The InChIKey is MBTAZTACUIDAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14-7-9-16(10-8-14)15(2)20-19(22)17-5-3-6-18(13-17)21-11-4-12-25(21,23)24/h3,5-10,13,15H,4,11-12H2,1-2H3,(H,20,22).
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide has a molecular weight of 358.46 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 46586730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).