2-[4-amino-5-(4-methylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide

C20H20N4O3S2 — CID 18590439

IUPAC2-[4-amino-5-(4-methylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C)nc2N)cc1
InChIInChI=1S/C20H20N4O3S2/c1-13-7-9-15(10-8-13)29(26,27)17-11-22-20(24-19(17)21)28-12-18(25)23-16-6-4-3-5-14(16)2/h3-11H,12H2,1-2H3,(H,23,25)(H2,21,22,24)
InChIKeyGKZGSJGXTDEGMN-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.24
Rot. Bonds6

About 2-[4-amino-5-(4-methylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide

2-[4-amino-5-(4-methylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide (PubChem CID 18590439) has the molecular formula C20H20N4O3S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-[4-amino-5-(4-methylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-amino-5-(4-methylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
PubChem CID18590439
Molecular FormulaC20H20N4O3S2
Molecular Weight428.54 g/mol
Exact Mass428.10
IUPAC Name2-[4-amino-5-(4-methylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C)nc2N)cc1
InChIInChI=1S/C20H20N4O3S2/c1-13-7-9-15(10-8-13)29(26,27)17-11-22-20(24-19(17)21)28-12-18(25)23-16-6-4-3-5-14(16)2/h3-11H,12H2,1-2H3,(H,23,25)(H2,21,22,24)
InChIKeyGKZGSJGXTDEGMN-UHFFFAOYSA-N
XLogP3.24
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 16832944
2-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 16832924
2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 16832902
2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
CID 16832896
2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(5-chloro-2-methoxyphenyl)acetamide
CID 16832910
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-(3-ethylphenyl)acetamide
CID 16832934
N-(2-methylphenyl)-2-[[4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]sulfanyl]acetamide
CID 46381994
2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
CID 50769771
2-[4-amino-5-(5-bromothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 50769821
2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide
CID 27372527
2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide
CID 27372536

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-5-(4-methylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-amino-5-(4-methylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide (CID 18590439) is 2-[4-amino-5-(4-methylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-amino-5-(4-methylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-amino-5-(4-methylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide is Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C)nc2N)cc1.
What is the InChIKey of 2-[4-amino-5-(4-methylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The InChIKey is GKZGSJGXTDEGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S2/c1-13-7-9-15(10-8-13)29(26,27)17-11-22-20(24-19(17)21)28-12-18(25)23-16-6-4-3-5-14(16)2/h3-11H,12H2,1-2H3,(H,23,25)(H2,21,22,24).
What are the key properties of 2-[4-amino-5-(4-methylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
2-[4-amino-5-(4-methylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide has a molecular weight of 428.54 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-(4-methylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 18590439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).