N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide

C22H24N4O6S — CID 2305695

IUPACN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H24N4O6S/c1-13-10-20(24-14(2)23-13)26-33(28,29)17-8-6-16(7-9-17)25-22(27)15-11-18(30-3)21(32-5)19(12-15)31-4/h6-12H,1-5H3,(H,25,27)(H,23,24,26)
InChIKeyQQCABAACVMMYHA-UHFFFAOYSA-N
MW472.52 g/mol
LogP3.17
Rot. Bonds8

About N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 2305695) has the molecular formula C22H24N4O6S and a molecular weight of 472.52 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID2305695
Molecular FormulaC22H24N4O6S
Molecular Weight472.52 g/mol
Exact Mass472.14
IUPAC NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H24N4O6S/c1-13-10-20(24-14(2)23-13)26-33(28,29)17-8-6-16(7-9-17)25-22(27)15-11-18(30-3)21(32-5)19(12-15)31-4/h6-12H,1-5H3,(H,25,27)(H,23,24,26)
InChIKeyQQCABAACVMMYHA-UHFFFAOYSA-N
XLogP3.17
TPSA128.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide (CID 2305695) is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc(OC)c1OC.
What is the InChIKey of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is QQCABAACVMMYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O6S/c1-13-10-20(24-14(2)23-13)26-33(28,29)17-8-6-16(7-9-17)25-22(27)15-11-18(30-3)21(32-5)19(12-15)31-4/h6-12H,1-5H3,(H,25,27)(H,23,24,26).
What are the key properties of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide?
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 472.52 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 2305695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).