4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-N-(2-methylpropyl)benzamide

C15H22N2O3S — CID 134058834

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-12(2)11-16(3)15(18)13-5-7-14(8-6-13)17-9-4-10-21(17,19)20/h5-8,12H,4,9-11H2,1-3H3
InChIKeyLRCCBMVSHLNSPQ-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.95
Rot. Bonds4

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-N-(2-methylpropyl)benzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-N-(2-methylpropyl)benzamide (PubChem CID 134058834) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-N-(2-methylpropyl)benzamide
PubChem CID134058834
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-12(2)11-16(3)15(18)13-5-7-14(8-6-13)17-9-4-10-21(17,19)20/h5-8,12H,4,9-11H2,1-3H3
InChIKeyLRCCBMVSHLNSPQ-UHFFFAOYSA-N
XLogP1.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methoxy-N-methylbenzamide
CID 47121212
N-[(5-bromothiophen-2-yl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide
CID 55435016
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55442423
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzamide
CID 17429239
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide
CID 51246187
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(methylamino)propyl]benzamide
CID 120829578
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide
CID 134031153
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide
CID 18169101
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide
CID 55612233
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51647787
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 55595253
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55692837

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-N-(2-methylpropyl)benzamide (CID 134058834) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-N-(2-methylpropyl)benzamide is CC(C)CN(C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is LRCCBMVSHLNSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12(2)11-16(3)15(18)13-5-7-14(8-6-13)17-9-4-10-21(17,19)20/h5-8,12H,4,9-11H2,1-3H3.
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-N-(2-methylpropyl)benzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 310.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 134058834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).