N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methylbenzamide

C20H20N4O5S — CID 1271031

IUPACN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methylbenzamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)nc(OC)n1
InChIInChI=1S/C20H20N4O5S/c1-13-5-4-6-14(11-13)19(25)21-15-7-9-16(10-8-15)30(26,27)24-17-12-18(28-2)23-20(22-17)29-3/h4-12H,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyGUGYQKYUEGXHKI-UHFFFAOYSA-N
MW428.47 g/mol
LogP2.86
Rot. Bonds7

About N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methylbenzamide

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methylbenzamide (PubChem CID 1271031) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methylbenzamide
PubChem CID1271031
Molecular FormulaC20H20N4O5S
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methylbenzamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)nc(OC)n1
InChIInChI=1S/C20H20N4O5S/c1-13-5-4-6-14(11-13)19(25)21-15-7-9-16(10-8-15)30(26,27)24-17-12-18(28-2)23-20(22-17)29-3/h4-12H,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyGUGYQKYUEGXHKI-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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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methylbenzamide (CID 1271031) is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methylbenzamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)nc(OC)n1.
What is the InChIKey of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methylbenzamide?
The InChIKey is GUGYQKYUEGXHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c1-13-5-4-6-14(11-13)19(25)21-15-7-9-16(10-8-15)30(26,27)24-17-12-18(28-2)23-20(22-17)29-3/h4-12H,1-3H3,(H,21,25)(H,22,23,24).
What are the key properties of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methylbenzamide?
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methylbenzamide 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 N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 1271031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).