4-(3,4-dimethoxyphenyl)-2-methylsulfonyl-N-(oxan-4-yl)pyrimidine-5-carboxamide

C19H23N3O6S — CID 142592643

IUPAC4-(3,4-dimethoxyphenyl)-2-methylsulfonyl-N-(oxan-4-yl)pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2nc(S(C)(=O)=O)ncc2C(=O)NC2CCOCC2)cc1OC
InChIInChI=1S/C19H23N3O6S/c1-26-15-5-4-12(10-16(15)27-2)17-14(11-20-19(22-17)29(3,24)25)18(23)21-13-6-8-28-9-7-13/h4-5,10-11,13H,6-9H2,1-3H3,(H,21,23)
InChIKeyWAPLEVGYDQDMCR-UHFFFAOYSA-N
MW421.48 g/mol
LogP1.47
Rot. Bonds6

About 4-(3,4-dimethoxyphenyl)-2-methylsulfonyl-N-(oxan-4-yl)pyrimidine-5-carboxamide

4-(3,4-dimethoxyphenyl)-2-methylsulfonyl-N-(oxan-4-yl)pyrimidine-5-carboxamide (PubChem CID 142592643) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2-methylsulfonyl-N-(oxan-4-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2-methylsulfonyl-N-(oxan-4-yl)pyrimidine-5-carboxamide
PubChem CID142592643
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC Name4-(3,4-dimethoxyphenyl)-2-methylsulfonyl-N-(oxan-4-yl)pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2nc(S(C)(=O)=O)ncc2C(=O)NC2CCOCC2)cc1OC
InChIInChI=1S/C19H23N3O6S/c1-26-15-5-4-12(10-16(15)27-2)17-14(11-20-19(22-17)29(3,24)25)18(23)21-13-6-8-28-9-7-13/h4-5,10-11,13H,6-9H2,1-3H3,(H,21,23)
InChIKeyWAPLEVGYDQDMCR-UHFFFAOYSA-N
XLogP1.47
TPSA116.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-bromo-3-methoxy-2-methyl-N-(oxan-4-yl)benzamide
CID 171369269
N-cyclohexyl-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855267
(2S)-2-amino-3-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)propanamide
CID 66750690
N-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 162793287
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
N-cyclopropyl-2-methyl-4-[2-methylsulfonyl-4-(oxan-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]benzamide
CID 90176099
2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide
CID 43610298
2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide
CID 80716754
N-cyclopropyl-4-[4-[(4-methoxyphenyl)methyl-(oxan-4-ylmethyl)amino]-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-yl]-2-methylbenzamide
CID 90157654
3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 5017279
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034
2-amino-4-methoxy-N-(oxan-4-yl)benzamide
CID 89025989

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2-methylsulfonyl-N-(oxan-4-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2-methylsulfonyl-N-(oxan-4-yl)pyrimidine-5-carboxamide (CID 142592643) is 4-(3,4-dimethoxyphenyl)-2-methylsulfonyl-N-(oxan-4-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2-methylsulfonyl-N-(oxan-4-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2-methylsulfonyl-N-(oxan-4-yl)pyrimidine-5-carboxamide is COc1ccc(-c2nc(S(C)(=O)=O)ncc2C(=O)NC2CCOCC2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2-methylsulfonyl-N-(oxan-4-yl)pyrimidine-5-carboxamide?
The InChIKey is WAPLEVGYDQDMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-26-15-5-4-12(10-16(15)27-2)17-14(11-20-19(22-17)29(3,24)25)18(23)21-13-6-8-28-9-7-13/h4-5,10-11,13H,6-9H2,1-3H3,(H,21,23).
What are the key properties of 4-(3,4-dimethoxyphenyl)-2-methylsulfonyl-N-(oxan-4-yl)pyrimidine-5-carboxamide?
4-(3,4-dimethoxyphenyl)-2-methylsulfonyl-N-(oxan-4-yl)pyrimidine-5-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-2-methylsulfonyl-N-(oxan-4-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 142592643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).