2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide

C22H24N4O5S — CID 136818234

IUPAC2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)cc1C
InChIInChI=1S/C22H24N4O5S/c1-14-10-18(8-9-19(14)31-4)32(29,30)26(3)13-21(28)24-17-7-5-6-16(12-17)22-23-15(2)11-20(27)25-22/h5-12H,13H2,1-4H3,(H,24,28)(H,23,25,27)
InChIKeyPSTDUSIDSOKCCH-UHFFFAOYSA-N
MW456.52 g/mol
LogP2.32
Rot. Bonds7

About 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide

2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide (PubChem CID 136818234) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
PubChem CID136818234
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC Name2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)cc1C
InChIInChI=1S/C22H24N4O5S/c1-14-10-18(8-9-19(14)31-4)32(29,30)26(3)13-21(28)24-17-7-5-6-16(12-17)22-23-15(2)11-20(27)25-22/h5-12H,13H2,1-4H3,(H,24,28)(H,23,25,27)
InChIKeyPSTDUSIDSOKCCH-UHFFFAOYSA-N
XLogP2.32
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 1248167
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 136818306
N-(3-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 3600540
N-(3,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 4548442
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 136818244
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 136818212
2-[4-(cyclopropylsulfamoyl)-2-methylphenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 136818213
2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide
CID 136773095
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 136818268
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 136818285
N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 5128990
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 136818261

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide?
The IUPAC name of 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide (CID 136818234) is 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)cc1C.
What is the InChIKey of 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide?
The InChIKey is PSTDUSIDSOKCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-14-10-18(8-9-19(14)31-4)32(29,30)26(3)13-21(28)24-17-7-5-6-16(12-17)22-23-15(2)11-20(27)25-22/h5-12H,13H2,1-4H3,(H,24,28)(H,23,25,27).
What are the key properties of 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide?
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide has a molecular weight of 456.52 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide is sourced from PubChem (CID 136818234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).