6-methyl-2-oxo-4-phenyl-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide

C18H18N4O4S — CID 172640636

IUPAC6-methyl-2-oxo-4-phenyl-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C(c2ccccc2)NC(=O)N1
InChIInChI=1S/C18H18N4O4S/c1-11-15(16(22-18(24)20-11)12-5-3-2-4-6-12)17(23)21-13-7-9-14(10-8-13)27(19,25)26/h2-10,16H,1H3,(H,21,23)(H2,19,25,26)(H2,20,22,24)
InChIKeyOZGKINQUVPOHBO-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.60
Rot. Bonds4

About 6-methyl-2-oxo-4-phenyl-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide

6-methyl-2-oxo-4-phenyl-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 172640636) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is 6-methyl-2-oxo-4-phenyl-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-2-oxo-4-phenyl-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID172640636
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name6-methyl-2-oxo-4-phenyl-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C(c2ccccc2)NC(=O)N1
InChIInChI=1S/C18H18N4O4S/c1-11-15(16(22-18(24)20-11)12-5-3-2-4-6-12)17(23)21-13-7-9-14(10-8-13)27(19,25)26/h2-10,16H,1H3,(H,21,23)(H2,19,25,26)(H2,20,22,24)
InChIKeyOZGKINQUVPOHBO-UHFFFAOYSA-N
XLogP1.60
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2860777
(4S)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7714723
4-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)benzenesulfonamide
CID 177382367
(4S)-N,4-bis(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 962637
(4S)-4-(4-tert-butylphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7798160
6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3562251
N-(3-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2874394
(4S)-4-(4-chlorophenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1014349
(4R)-N-(4-bromophenyl)-6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1111572
N-(4-bromophenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2861522
(4S)-4-(4-bromophenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40606898
(4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7858309

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-4-phenyl-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-2-oxo-4-phenyl-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 172640636) is 6-methyl-2-oxo-4-phenyl-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-2-oxo-4-phenyl-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-2-oxo-4-phenyl-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C(c2ccccc2)NC(=O)N1.
What is the InChIKey of 6-methyl-2-oxo-4-phenyl-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is OZGKINQUVPOHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-11-15(16(22-18(24)20-11)12-5-3-2-4-6-12)17(23)21-13-7-9-14(10-8-13)27(19,25)26/h2-10,16H,1H3,(H,21,23)(H2,19,25,26)(H2,20,22,24).
What are the key properties of 6-methyl-2-oxo-4-phenyl-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
6-methyl-2-oxo-4-phenyl-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 1.60, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-4-phenyl-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 172640636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).