3,5-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

C20H20N4O5S — CID 1150951

IUPAC3,5-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1
InChIInChI=1S/C20H20N4O5S/c1-13-8-9-21-20(22-13)24-30(26,27)18-6-4-15(5-7-18)23-19(25)14-10-16(28-2)12-17(11-14)29-3/h4-12H,1-3H3,(H,23,25)(H,21,22,24)
InChIKeyBOYUYRPYXFHCDE-UHFFFAOYSA-N
MW428.47 g/mol
LogP2.86
Rot. Bonds7

About 3,5-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

3,5-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 1150951) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID1150951
Molecular FormulaC20H20N4O5S
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC Name3,5-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1
InChIInChI=1S/C20H20N4O5S/c1-13-8-9-21-20(22-13)24-30(26,27)18-6-4-15(5-7-18)23-19(25)14-10-16(28-2)12-17(11-14)29-3/h4-12H,1-3H3,(H,23,25)(H,21,22,24)
InChIKeyBOYUYRPYXFHCDE-UHFFFAOYSA-N
XLogP2.86
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1048934
3,4-diethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150965
3-methoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 1219917
3,4,5-trimethoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 1974798
2-(3-amino-4-methylanilino)-N-[5-[(3,5-dimethoxybenzoyl)amino]-2-methylphenyl]-4-(methylamino)pyrimidine-5-carboxamide
CID 122633688
N'-(benzenesulfonyl)-3-methoxy-5-pyrimidin-2-ylbenzohydrazide
CID 135298634
N-[4-(2,6-Dimethyl-pyrimidin-4-ylsulfamoyl)-phenyl]-2,6-dimethoxy-benzamide
CID 651608
3,5-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1072404
3,5-Dimethoxy-N-[4-(pyridin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1078178
2-(4-Methoxy-phenyl)-N-[4-(4-methyl-pyrimidin-2-ylsulfamoyl)-phenyl]-acetamide
CID 1150931
N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1191580
2,4,5-trimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1246444

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (CID 1150951) is 3,5-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is BOYUYRPYXFHCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c1-13-8-9-21-20(22-13)24-30(26,27)18-6-4-15(5-7-18)23-19(25)14-10-16(28-2)12-17(11-14)29-3/h4-12H,1-3H3,(H,23,25)(H,21,22,24).
What are the key properties of 3,5-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
3,5-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 428.47 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1150951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).