N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide

C23H26N4O6S — CID 136782588

IUPACN-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)c2cc(=O)[nH]c(Cc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C23H26N4O6S/c1-32-12-11-25-34(30,31)19-9-5-17(6-10-19)15-24-23(29)20-14-22(28)27-21(26-20)13-16-3-7-18(33-2)8-4-16/h3-10,14,25H,11-13,15H2,1-2H3,(H,24,29)(H,26,27,28)
InChIKeyABTQJHOWZOSBHC-UHFFFAOYSA-N
MW486.55 g/mol
LogP1.22
Rot. Bonds11

About N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide

N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 136782588) has the molecular formula C23H26N4O6S and a molecular weight of 486.55 g/mol. Its IUPAC name is N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID136782588
Molecular FormulaC23H26N4O6S
Molecular Weight486.55 g/mol
Exact Mass486.16
IUPAC NameN-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)c2cc(=O)[nH]c(Cc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C23H26N4O6S/c1-32-12-11-25-34(30,31)19-9-5-17(6-10-19)15-24-23(29)20-14-22(28)27-21(26-20)13-16-3-7-18(33-2)8-4-16/h3-10,14,25H,11-13,15H2,1-2H3,(H,24,29)(H,26,27,28)
InChIKeyABTQJHOWZOSBHC-UHFFFAOYSA-N
XLogP1.22
TPSA139.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136834550
3-[[[2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carbonyl]amino]methyl]benzoic acid
CID 136834562
N-decyl-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136705608
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 17474206
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059892
methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 108735953
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
2-methyl-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-4-carboxamide
CID 144874262
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 108736002
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 108759091
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 31541929

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 136782588) is N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide is COCCNS(=O)(=O)c1ccc(CNC(=O)c2cc(=O)[nH]c(Cc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is ABTQJHOWZOSBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6S/c1-32-12-11-25-34(30,31)19-9-5-17(6-10-19)15-24-23(29)20-14-22(28)27-21(26-20)13-16-3-7-18(33-2)8-4-16/h3-10,14,25H,11-13,15H2,1-2H3,(H,24,29)(H,26,27,28).
What are the key properties of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 486.55 g/mol, XLogP of 1.22, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136782588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).