2-oxo-4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-6-carboxamide

C19H18N4O4S — CID 110332104

IUPAC2-oxo-4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-6-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccccc3)nc(=O)[nH]2)cc1
InChIInChI=1S/C19H18N4O4S/c20-28(26,27)15-8-6-13(7-9-15)10-11-21-18(24)17-12-16(22-19(25)23-17)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,21,24)(H2,20,26,27)(H,22,23,25)
InChIKeyVGXMASDWDMCKAR-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.06
Rot. Bonds6

About 2-oxo-4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-6-carboxamide

2-oxo-4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-6-carboxamide (PubChem CID 110332104) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 2-oxo-4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-oxo-4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-6-carboxamide
PubChem CID110332104
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name2-oxo-4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-6-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccccc3)nc(=O)[nH]2)cc1
InChIInChI=1S/C19H18N4O4S/c20-28(26,27)15-8-6-13(7-9-15)10-11-21-18(24)17-12-16(22-19(25)23-17)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,21,24)(H2,20,26,27)(H,22,23,25)
InChIKeyVGXMASDWDMCKAR-UHFFFAOYSA-N
XLogP1.06
TPSA135.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 110676548
3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 46920467
1,3-dimethyl-6-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46697755
3-amino-6-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 21232420
N-(2-morpholin-4-ylethyl)-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
CID 110332072
3-(1H-pyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 74249008
N-[3-(4-hydroxyphenyl)propyl]-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide
CID 110421281
2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1212425
N-benzyl-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide
CID 110295366
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099
N-[(4-sulfamoylphenyl)methyl]-1H-indole-2-carboxamide
CID 23025509
1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 52563431

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-6-carboxamide?
The IUPAC name of 2-oxo-4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-6-carboxamide (CID 110332104) is 2-oxo-4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 2-oxo-4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 2-oxo-4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-6-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccccc3)nc(=O)[nH]2)cc1.
What is the InChIKey of 2-oxo-4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-6-carboxamide?
The InChIKey is VGXMASDWDMCKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c20-28(26,27)15-8-6-13(7-9-15)10-11-21-18(24)17-12-16(22-19(25)23-17)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,21,24)(H2,20,26,27)(H,22,23,25).
What are the key properties of 2-oxo-4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-6-carboxamide?
2-oxo-4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-6-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 110332104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).