N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)propanamide

C22H24N4O4S — CID 24979691

IUPACN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1
InChIInChI=1S/C22H24N4O4S/c1-15-14-21(24-16(2)23-15)26-31(28,29)19-11-9-18(10-12-19)25-22(27)13-8-17-6-4-5-7-20(17)30-3/h4-7,9-12,14H,8,13H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyJMSVQIKLEYDALX-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.47
Rot. Bonds8

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

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)propanamide (PubChem CID 24979691) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)propanamide
PubChem CID24979691
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1
InChIInChI=1S/C22H24N4O4S/c1-15-14-21(24-16(2)23-15)26-31(28,29)19-11-9-18(10-12-19)25-22(27)13-8-17-6-4-5-7-20(17)30-3/h4-7,9-12,14H,8,13H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyJMSVQIKLEYDALX-UHFFFAOYSA-N
XLogP3.47
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)propanamide (CID 24979691) is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1.
What is the InChIKey of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is JMSVQIKLEYDALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-15-14-21(24-16(2)23-15)26-31(28,29)19-11-9-18(10-12-19)25-22(27)13-8-17-6-4-5-7-20(17)30-3/h4-7,9-12,14H,8,13H2,1-3H3,(H,25,27)(H,23,24,26).
What are the key properties of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)propanamide?
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 440.53 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 24979691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).