2-[5-[(4-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(2-ethoxyphenyl)acetamide

C19H22ClN3O4S — CID 46343822

IUPAC2-[5-[(4-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCN(Cc2ccc(Cl)cc2)S1(=O)=O
InChIInChI=1S/C19H22ClN3O4S/c1-2-27-18-6-4-3-5-17(18)21-19(24)14-23-12-11-22(28(23,25)26)13-15-7-9-16(20)10-8-15/h3-10H,2,11-14H2,1H3,(H,21,24)
InChIKeyXZUWWHLHLMFZMW-UHFFFAOYSA-N
MW423.92 g/mol
LogP2.74
Rot. Bonds7

About 2-[5-[(4-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(2-ethoxyphenyl)acetamide

2-[5-[(4-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 46343822) has the molecular formula C19H22ClN3O4S and a molecular weight of 423.92 g/mol. Its IUPAC name is 2-[5-[(4-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[(4-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(2-ethoxyphenyl)acetamide
PubChem CID46343822
Molecular FormulaC19H22ClN3O4S
Molecular Weight423.92 g/mol
Exact Mass423.10
IUPAC Name2-[5-[(4-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCN(Cc2ccc(Cl)cc2)S1(=O)=O
InChIInChI=1S/C19H22ClN3O4S/c1-2-27-18-6-4-3-5-17(18)21-19(24)14-23-12-11-22(28(23,25)26)13-15-7-9-16(20)10-8-15/h3-10H,2,11-14H2,1H3,(H,21,24)
InChIKeyXZUWWHLHLMFZMW-UHFFFAOYSA-N
XLogP2.74
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 2075755
2-[2-(4-chlorophenyl)ethylamino]-N-(2-ethoxyphenyl)acetamide
CID 109002864
N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide
CID 108946779
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 17255125
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
2-[4-(2,5-dichlorophenyl)piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 163391607
2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
CID 889519
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,5-diethoxyphenyl)acetamide
CID 24566651
N-(2-ethoxyphenyl)-2-(2-sulfanylideneimidazolidin-1-yl)acetamide
CID 4751445
N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34942442
3-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 3694492
2-(2,3-dichlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 7372395

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[5-[(4-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(2-ethoxyphenyl)acetamide (CID 46343822) is 2-[5-[(4-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-[(4-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[5-[(4-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CN1CCN(Cc2ccc(Cl)cc2)S1(=O)=O.
What is the InChIKey of 2-[5-[(4-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is XZUWWHLHLMFZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4S/c1-2-27-18-6-4-3-5-17(18)21-19(24)14-23-12-11-22(28(23,25)26)13-15-7-9-16(20)10-8-15/h3-10H,2,11-14H2,1H3,(H,21,24).
What are the key properties of 2-[5-[(4-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(2-ethoxyphenyl)acetamide?
2-[5-[(4-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 423.92 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 46343822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).