2-[3,5-dimethyl-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]-N-(4-methylphenyl)acetamide

C22H24N4O5S — CID 20862141

IUPAC2-[3,5-dimethyl-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C22H24N4O5S/c1-13-5-7-17(8-6-13)24-19(27)12-26(18-10-14(2)9-15(3)11-18)32(30,31)20-16(4)23-22(29)25-21(20)28/h5-11H,12H2,1-4H3,(H,24,27)(H2,23,25,28,29)
InChIKeyRAGMPYNIXXRQSP-UHFFFAOYSA-N
MW456.52 g/mol
LogP2.13
Rot. Bonds6

About 2-[3,5-dimethyl-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]-N-(4-methylphenyl)acetamide

2-[3,5-dimethyl-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]-N-(4-methylphenyl)acetamide (PubChem CID 20862141) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is 2-[3,5-dimethyl-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]-N-(4-methylphenyl)acetamide
PubChem CID20862141
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC Name2-[3,5-dimethyl-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C22H24N4O5S/c1-13-5-7-17(8-6-13)24-19(27)12-26(18-10-14(2)9-15(3)11-18)32(30,31)20-16(4)23-22(29)25-21(20)28/h5-11H,12H2,1-4H3,(H,24,27)(H2,23,25,28,29)
InChIKeyRAGMPYNIXXRQSP-UHFFFAOYSA-N
XLogP2.13
TPSA132.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-dimethyl-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]acetic acid
CID 4110629
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 51345362
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 126393780
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126324001
N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 51343114
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetamide
CID 126137622
2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 20930102
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43880616
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 51343111
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 46764787
methyl 4-[[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 113153979
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide
CID 1361908

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[3,5-dimethyl-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]-N-(4-methylphenyl)acetamide (CID 20862141) is 2-[3,5-dimethyl-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[3,5-dimethyl-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 2-[3,5-dimethyl-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]-N-(4-methylphenyl)acetamide?
The InChIKey is RAGMPYNIXXRQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-13-5-7-17(8-6-13)24-19(27)12-26(18-10-14(2)9-15(3)11-18)32(30,31)20-16(4)23-22(29)25-21(20)28/h5-11H,12H2,1-4H3,(H,24,27)(H2,23,25,28,29).
What are the key properties of 2-[3,5-dimethyl-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]-N-(4-methylphenyl)acetamide?
2-[3,5-dimethyl-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]-N-(4-methylphenyl)acetamide has a molecular weight of 456.52 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 20862141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).