N-[4-[[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]sulfamoyl]phenyl]acetamide

C25H22ClN5O4S — CID 142008336

IUPACN-[4-[[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c3C)cc2)cc1
InChIInChI=1S/C25H22ClN5O4S/c1-15-23(29-25(30-24(15)33)28-20-9-5-18(26)6-10-20)17-3-7-21(8-4-17)31-36(34,35)22-13-11-19(12-14-22)27-16(2)32/h3-14,31H,1-2H3,(H,27,32)(H2,28,29,30,33)
InChIKeyBOSOCQYXUWXGHC-UHFFFAOYSA-N
MW524.00 g/mol
LogP4.90
Rot. Bonds7

About N-[4-[[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 142008336) has the molecular formula C25H22ClN5O4S and a molecular weight of 524.00 g/mol. Its IUPAC name is N-[4-[[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]sulfamoyl]phenyl]acetamide
PubChem CID142008336
Molecular FormulaC25H22ClN5O4S
Molecular Weight524.00 g/mol
Exact Mass523.11
IUPAC NameN-[4-[[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c3C)cc2)cc1
InChIInChI=1S/C25H22ClN5O4S/c1-15-23(29-25(30-24(15)33)28-20-9-5-18(26)6-10-20)17-3-7-21(8-4-17)31-36(34,35)22-13-11-19(12-14-22)27-16(2)32/h3-14,31H,1-2H3,(H,27,32)(H2,28,29,30,33)
InChIKeyBOSOCQYXUWXGHC-UHFFFAOYSA-N
XLogP4.90
TPSA133.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.00
LogP ≤ 54.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[4-[[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]sulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

N-[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]-2-oxo-2-thiophen-2-ylacetamide
CID 142008235
N-[3-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]-3-fluorobenzenesulfonamide
CID 142008247
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
N-[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]-3-methoxybenzamide
CID 142008292
N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 50822916
N-[4-[2-(4-chloroanilino)-5-cyano-6-oxo-1H-pyrimidin-4-yl]phenyl]methanesulfonamide
CID 135682384
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
2-(4-chloroanilino)-5-cyano-4-[4-(dimethylsulfamoylamino)phenyl]-6-oxo-1H-pyrimidine
CID 135682168
N-[4-[[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
CID 1319892
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]sulfamoyl]phenyl]acetamide (CID 142008336) is N-[4-[[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c3C)cc2)cc1.
What is the InChIKey of N-[4-[[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is BOSOCQYXUWXGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O4S/c1-15-23(29-25(30-24(15)33)28-20-9-5-18(26)6-10-20)17-3-7-21(8-4-17)31-36(34,35)22-13-11-19(12-14-22)27-16(2)32/h3-14,31H,1-2H3,(H,27,32)(H2,28,29,30,33).
What are the key properties of N-[4-[[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 524.00 g/mol, XLogP of 4.90, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 142008336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).