(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate

C24H21N3O5S — CID 43023323

IUPAC(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
SMILESCc1cccn2c(=O)cc(COC(=O)c3ccccc3S(=O)(=O)N(C)c3ccccc3)nc12
InChIInChI=1S/C24H21N3O5S/c1-17-9-8-14-27-22(28)15-18(25-23(17)27)16-32-24(29)20-12-6-7-13-21(20)33(30,31)26(2)19-10-4-3-5-11-19/h3-15H,16H2,1-2H3
InChIKeyDUVOONQWZKWSQS-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.19
Rot. Bonds6

About (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate

(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate (PubChem CID 43023323) has the molecular formula C24H21N3O5S and a molecular weight of 463.52 g/mol. Its IUPAC name is (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
PubChem CID43023323
Molecular FormulaC24H21N3O5S
Molecular Weight463.52 g/mol
Exact Mass463.12
IUPAC Name(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
SMILESCc1cccn2c(=O)cc(COC(=O)c3ccccc3S(=O)(=O)N(C)c3ccccc3)nc12
InChIInChI=1S/C24H21N3O5S/c1-17-9-8-14-27-22(28)15-18(25-23(17)27)16-32-24(29)20-12-6-7-13-21(20)33(30,31)26(2)19-10-4-3-5-11-19/h3-15H,16H2,1-2H3
InChIKeyDUVOONQWZKWSQS-UHFFFAOYSA-N
XLogP3.19
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-hydroxy-5-methylbenzoate
CID 46805251
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734503
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 43023457
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate
CID 5139327
(2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid
CID 104876351
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-chloroquinoline-6-carboxylate
CID 55730387
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 8940804
2-methyl-2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 62820894
2-benzoyloxyethyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 30548140
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate
CID 8508962
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 30472941
(4-methoxycarbonylphenyl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 42464208

Frequently Asked Questions

What is the IUPAC name of (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate (CID 43023323) is (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate is Cc1cccn2c(=O)cc(COC(=O)c3ccccc3S(=O)(=O)N(C)c3ccccc3)nc12.
What is the InChIKey of (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate?
The InChIKey is DUVOONQWZKWSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5S/c1-17-9-8-14-27-22(28)15-18(25-23(17)27)16-32-24(29)20-12-6-7-13-21(20)33(30,31)26(2)19-10-4-3-5-11-19/h3-15H,16H2,1-2H3.
What are the key properties of (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate?
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate has a molecular weight of 463.52 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 43023323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).