2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide

C22H22N4O2S — CID 18208060

IUPAC2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)cc1
InChIInChI=1S/C22H22N4O2S/c1-14-12-15(2)24-22(23-14)29-20-10-8-19(9-11-20)26-21(28)13-17-4-6-18(7-5-17)25-16(3)27/h4-12H,13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeySFYXDRUYPRUENP-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.38
Rot. Bonds6

About 2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide

2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide (PubChem CID 18208060) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide
PubChem CID18208060
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)cc1
InChIInChI=1S/C22H22N4O2S/c1-14-12-15(2)24-22(23-14)29-20-10-8-19(9-11-20)26-21(28)13-17-4-6-18(7-5-17)25-16(3)27/h4-12H,13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeySFYXDRUYPRUENP-UHFFFAOYSA-N
XLogP4.38
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-N-methylacetamide
CID 36544300
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide
CID 24677174
4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide
CID 4548878
(2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide;hydrochloride
CID 119276811
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide
CID 15079946
2-(4-bromophenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]acetamide
CID 108743598
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide
CID 24591939
(2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methylpentanamide;hydrochloride
CID 119700071
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120619522
2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide
CID 30257491
2,2-dichloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide
CID 24677204
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 47781887

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide (CID 18208060) is 2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide is CC(=O)Nc1ccc(CC(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide?
The InChIKey is SFYXDRUYPRUENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-14-12-15(2)24-22(23-14)29-20-10-8-19(9-11-20)26-21(28)13-17-4-6-18(7-5-17)25-16(3)27/h4-12H,13H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide?
2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide has a molecular weight of 406.51 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide is sourced from PubChem (CID 18208060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).