N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide

C19H22N2O4S2 — CID 42489168

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide
SMILESCCOc1ccc(SCC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1
InChIInChI=1S/C19H22N2O4S2/c1-2-25-17-8-10-18(11-9-17)26-14-19(22)20-15-4-6-16(7-5-15)21-12-3-13-27(21,23)24/h4-11H,2-3,12-14H2,1H3,(H,20,22)
InChIKeyRZAPXXFMVROUCE-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.36
Rot. Bonds7

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide (PubChem CID 42489168) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide
PubChem CID42489168
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide
SMILESCCOc1ccc(SCC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1
InChIInChI=1S/C19H22N2O4S2/c1-2-25-17-8-10-18(11-9-17)26-14-19(22)20-15-4-6-16(7-5-15)21-12-3-13-27(21,23)24/h4-11H,2-3,12-14H2,1H3,(H,20,22)
InChIKeyRZAPXXFMVROUCE-UHFFFAOYSA-N
XLogP3.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 60864053
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N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide
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2-[4-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]sulfanyl-N-(4-ethoxyphenyl)acetamide
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CID 7424208
2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7456554
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)acetamide
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2-(4-chlorophenyl)-N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]acetamide
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N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 7482855
N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
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N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N',N'-dipropylpentanediamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide (CID 42489168) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide is CCOc1ccc(SCC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide?
The InChIKey is RZAPXXFMVROUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c1-2-25-17-8-10-18(11-9-17)26-14-19(22)20-15-4-6-16(7-5-15)21-12-3-13-27(21,23)24/h4-11H,2-3,12-14H2,1H3,(H,20,22).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide has a molecular weight of 406.53 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 42489168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).