4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-thiophen-2-ylethyl)benzamide

C18H19ClN2O4S2 — CID 42348348

IUPAC4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-thiophen-2-ylethyl)benzamide
SMILESCC1(C)CS(=O)(=O)N(c2cc(C(=O)NCCc3cccs3)ccc2Cl)C1=O
InChIInChI=1S/C18H19ClN2O4S2/c1-18(2)11-27(24,25)21(17(18)23)15-10-12(5-6-14(15)19)16(22)20-8-7-13-4-3-9-26-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)
InChIKeySAJVLDBDHKXBPI-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.08
Rot. Bonds5

About 4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-thiophen-2-ylethyl)benzamide

4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 42348348) has the molecular formula C18H19ClN2O4S2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID42348348
Molecular FormulaC18H19ClN2O4S2
Molecular Weight426.95 g/mol
Exact Mass426.05
IUPAC Name4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-thiophen-2-ylethyl)benzamide
SMILESCC1(C)CS(=O)(=O)N(c2cc(C(=O)NCCc3cccs3)ccc2Cl)C1=O
InChIInChI=1S/C18H19ClN2O4S2/c1-18(2)11-27(24,25)21(17(18)23)15-10-12(5-6-14(15)19)16(22)20-8-7-13-4-3-9-26-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)
InChIKeySAJVLDBDHKXBPI-UHFFFAOYSA-N
XLogP3.08
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(4-chlorophenyl)methyl]-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 42348310
4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 42228036
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide
CID 110765387
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
9-oxo-N-(2-thiophen-2-ylethyl)fluorene-2-carboxamide
CID 16612942
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 9396044
3-oxo-N-(2-thiophen-2-ylethyl)-4H-1,4-benzoxazine-6-carboxamide
CID 110763768
5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 27770225
4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107021162
4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770345
3-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 17453938
4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 47421945

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-thiophen-2-ylethyl)benzamide (CID 42348348) is 4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-thiophen-2-ylethyl)benzamide is CC1(C)CS(=O)(=O)N(c2cc(C(=O)NCCc3cccs3)ccc2Cl)C1=O.
What is the InChIKey of 4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is SAJVLDBDHKXBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S2/c1-18(2)11-27(24,25)21(17(18)23)15-10-12(5-6-14(15)19)16(22)20-8-7-13-4-3-9-26-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22).
What are the key properties of 4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-thiophen-2-ylethyl)benzamide?
4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 426.95 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 42348348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).