4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-thiophen-2-ylethyl)benzamide

C16H18N2O3S2 — CID 18110994

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1cccs1
InChIInChI=1S/C16H18N2O3S2/c1-12(15-4-2-10-22-15)17-16(19)13-5-7-14(8-6-13)18-9-3-11-23(18,20)21/h2,4-8,10,12H,3,9,11H2,1H3,(H,17,19)
InChIKeyFMTHIHPZQBRIDL-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.78
Rot. Bonds4

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-thiophen-2-ylethyl)benzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 18110994) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID18110994
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1cccs1
InChIInChI=1S/C16H18N2O3S2/c1-12(15-4-2-10-22-15)17-16(19)13-5-7-14(8-6-13)18-9-3-11-23(18,20)21/h2,4-8,10,12H,3,9,11H2,1H3,(H,17,19)
InChIKeyFMTHIHPZQBRIDL-UHFFFAOYSA-N
XLogP2.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-phenylethyl)benzamide
CID 18108333
N-[1-(3-benzamidophenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55693559
N-[3-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]thiophene-2-carboxamide
CID 55516148
N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide
CID 126795841
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide
CID 18169101
4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
CID 17431646
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(methylamino)propyl]benzamide
CID 120829578
4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide
CID 62241392
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46586730
4-[3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoylamino]-N-propan-2-ylbenzamide
CID 55887283

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-thiophen-2-ylethyl)benzamide (CID 18110994) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-thiophen-2-ylethyl)benzamide is CC(NC(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1cccs1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is FMTHIHPZQBRIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-12(15-4-2-10-22-15)17-16(19)13-5-7-14(8-6-13)18-9-3-11-23(18,20)21/h2,4-8,10,12H,3,9,11H2,1H3,(H,17,19).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-thiophen-2-ylethyl)benzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 350.47 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 18110994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).