N-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide

C17H21N3O3S — CID 863167

IUPACN-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CSc2nccc(C)n2)c1
InChIInChI=1S/C17H21N3O3S/c1-4-22-13-6-7-15(23-5-2)14(10-13)20-16(21)11-24-17-18-9-8-12(3)19-17/h6-10H,4-5,11H2,1-3H3,(H,20,21)
InChIKeyVIPWIRHWUSARRY-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.31
Rot. Bonds8

About N-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide

N-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 863167) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
PubChem CID863167
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CSc2nccc(C)n2)c1
InChIInChI=1S/C17H21N3O3S/c1-4-22-13-6-7-15(23-5-2)14(10-13)20-16(21)11-24-17-18-9-8-12(3)19-17/h6-10H,4-5,11H2,1-3H3,(H,20,21)
InChIKeyVIPWIRHWUSARRY-UHFFFAOYSA-N
XLogP3.31
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
CID 33312505
N-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 43000702
2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 863146
methyl 2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate
CID 901165
2-[[5-[2-(2,5-diethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 36609082
N-(2,5-diethoxyphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 36528919
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-diethoxyphenyl)acetamide
CID 37056388
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,5-diethoxyphenyl)acetamide
CID 5014230
N-(2,5-diethoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 60703669
N-(2,5-diethoxyphenyl)-2-[(8-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 1172047
N-(2,5-diethoxyphenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide
CID 3386775

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide (CID 863167) is N-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is CCOc1ccc(OCC)c(NC(=O)CSc2nccc(C)n2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is VIPWIRHWUSARRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-4-22-13-6-7-15(23-5-2)14(10-13)20-16(21)11-24-17-18-9-8-12(3)19-17/h6-10H,4-5,11H2,1-3H3,(H,20,21).
What are the key properties of N-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
N-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 347.44 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 863167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).