2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide

C22H24N4O3S2 — CID 16832934

IUPAC2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N)n2)c1
InChIInChI=1S/C22H24N4O3S2/c1-4-16-6-5-7-17(11-16)25-20(27)13-30-22-24-12-19(21(23)26-22)31(28,29)18-9-8-14(2)15(3)10-18/h5-12H,4,13H2,1-3H3,(H,25,27)(H2,23,24,26)
InChIKeyHOTFDZJIJGQNDC-UHFFFAOYSA-N
MW456.59 g/mol
LogP3.80
Rot. Bonds7

About 2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide

2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide (PubChem CID 16832934) has the molecular formula C22H24N4O3S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide
PubChem CID16832934
Molecular FormulaC22H24N4O3S2
Molecular Weight456.59 g/mol
Exact Mass456.13
IUPAC Name2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N)n2)c1
InChIInChI=1S/C22H24N4O3S2/c1-4-16-6-5-7-17(11-16)25-20(27)13-30-22-24-12-19(21(23)26-22)31(28,29)18-9-8-14(2)15(3)10-18/h5-12H,4,13H2,1-3H3,(H,25,27)(H2,23,24,26)
InChIKeyHOTFDZJIJGQNDC-UHFFFAOYSA-N
XLogP3.80
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide 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

2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 20910523
2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 16832944
2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide
CID 27372527
2-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 16832924
2-[4-amino-5-(4-methylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 18590439
2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide
CID 27372536
2-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 16832872
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(3-ethylphenyl)acetamide
CID 43301325
ethyl 4-amino-2-[2-(3-chloroanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
CID 1123893
2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
CID 16832896
2-[[5-(2,4-dimethylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-ethylphenyl)acetamide
CID 50744388
2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(5-chloro-2-methoxyphenyl)acetamide
CID 16832910

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide (CID 16832934) is 2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N)n2)c1.
What is the InChIKey of 2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide?
The InChIKey is HOTFDZJIJGQNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S2/c1-4-16-6-5-7-17(11-16)25-20(27)13-30-22-24-12-19(21(23)26-22)31(28,29)18-9-8-14(2)15(3)10-18/h5-12H,4,13H2,1-3H3,(H,25,27)(H2,23,24,26).
What are the key properties of 2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide?
2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide has a molecular weight of 456.59 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 16832934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).