N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]pyrimidine-5-carboxamide

C19H18N4O4S — CID 5039717

IUPACN-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]pyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(NS(=O)(=O)c2ccc(C)cc2)nc1
InChIInChI=1S/C19H18N4O4S/c1-13-7-9-15(10-8-13)28(25,26)23-19-20-11-14(12-21-19)18(24)22-16-5-3-4-6-17(16)27-2/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyRCJNIVRXSMXMFQ-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.85
Rot. Bonds6

About N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]pyrimidine-5-carboxamide

N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]pyrimidine-5-carboxamide (PubChem CID 5039717) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]pyrimidine-5-carboxamide
PubChem CID5039717
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC NameN-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]pyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(NS(=O)(=O)c2ccc(C)cc2)nc1
InChIInChI=1S/C19H18N4O4S/c1-13-7-9-15(10-8-13)28(25,26)23-19-20-11-14(12-21-19)18(24)22-16-5-3-4-6-17(16)27-2/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyRCJNIVRXSMXMFQ-UHFFFAOYSA-N
XLogP2.85
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247975
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260301
N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7939173
2-(cycloheptylamino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109263226
4-[(4-ethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 7516537
N-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18148000
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109257738
N-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 2226358
N-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1312611
N-(2-methoxyphenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 1254823
2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1369664
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]pyrimidine-5-carboxamide (CID 5039717) is N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]pyrimidine-5-carboxamide is COc1ccccc1NC(=O)c1cnc(NS(=O)(=O)c2ccc(C)cc2)nc1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]pyrimidine-5-carboxamide?
The InChIKey is RCJNIVRXSMXMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-13-7-9-15(10-8-13)28(25,26)23-19-20-11-14(12-21-19)18(24)22-16-5-3-4-6-17(16)27-2/h3-12H,1-2H3,(H,22,24)(H,20,21,23).
What are the key properties of N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]pyrimidine-5-carboxamide?
N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]pyrimidine-5-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 5039717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).