2-[4-(cyclopropylsulfamoyl)-2-methylphenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide

C23H24N4O5S — CID 136818213

IUPAC2-[4-(cyclopropylsulfamoyl)-2-methylphenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
SMILESCc1cc(=O)[nH]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)NC4CC4)cc3C)c2)n1
InChIInChI=1S/C23H24N4O5S/c1-14-10-19(33(30,31)27-17-6-7-17)8-9-20(14)32-13-22(29)25-18-5-3-4-16(12-18)23-24-15(2)11-21(28)26-23/h3-5,8-12,17,27H,6-7,13H2,1-2H3,(H,25,29)(H,24,26,28)
InChIKeyRZHYDRWMNGVVRF-UHFFFAOYSA-N
MW468.54 g/mol
LogP2.51
Rot. Bonds8

About 2-[4-(cyclopropylsulfamoyl)-2-methylphenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide

2-[4-(cyclopropylsulfamoyl)-2-methylphenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide (PubChem CID 136818213) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is 2-[4-(cyclopropylsulfamoyl)-2-methylphenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(cyclopropylsulfamoyl)-2-methylphenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
PubChem CID136818213
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC Name2-[4-(cyclopropylsulfamoyl)-2-methylphenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
SMILESCc1cc(=O)[nH]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)NC4CC4)cc3C)c2)n1
InChIInChI=1S/C23H24N4O5S/c1-14-10-19(33(30,31)27-17-6-7-17)8-9-20(14)32-13-22(29)25-18-5-3-4-16(12-18)23-24-15(2)11-21(28)26-23/h3-5,8-12,17,27H,6-7,13H2,1-2H3,(H,25,29)(H,24,26,28)
InChIKeyRZHYDRWMNGVVRF-UHFFFAOYSA-N
XLogP2.51
TPSA130.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 136818212
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 136818366
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 136818234
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 136876910
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide
CID 3657367
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide
CID 3634459
N-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
CID 100796699
3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide
CID 136818206
2-(4-bromo-2-methylphenoxy)-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide
CID 4627515
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide
CID 136734003
(1S)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 136733997
2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide
CID 136773095

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylsulfamoyl)-2-methylphenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide?
The IUPAC name of 2-[4-(cyclopropylsulfamoyl)-2-methylphenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide (CID 136818213) is 2-[4-(cyclopropylsulfamoyl)-2-methylphenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(cyclopropylsulfamoyl)-2-methylphenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-(cyclopropylsulfamoyl)-2-methylphenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide is Cc1cc(=O)[nH]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)NC4CC4)cc3C)c2)n1.
What is the InChIKey of 2-[4-(cyclopropylsulfamoyl)-2-methylphenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide?
The InChIKey is RZHYDRWMNGVVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c1-14-10-19(33(30,31)27-17-6-7-17)8-9-20(14)32-13-22(29)25-18-5-3-4-16(12-18)23-24-15(2)11-21(28)26-23/h3-5,8-12,17,27H,6-7,13H2,1-2H3,(H,25,29)(H,24,26,28).
What are the key properties of 2-[4-(cyclopropylsulfamoyl)-2-methylphenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide?
2-[4-(cyclopropylsulfamoyl)-2-methylphenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide has a molecular weight of 468.54 g/mol, XLogP of 2.51, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylsulfamoyl)-2-methylphenoxy]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide is sourced from PubChem (CID 136818213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).