N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide

C21H22N4O6S — CID 1009728

IUPACN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)cc2)cc1
InChIInChI=1S/C21H22N4O6S/c1-29-16-8-4-14(5-9-16)12-19(26)22-15-6-10-17(11-7-15)32(27,28)25-18-13-20(30-2)24-21(23-18)31-3/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyDFNNPNCKXDEDKL-UHFFFAOYSA-N
MW458.50 g/mol
LogP2.48
Rot. Bonds9

About N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 1009728) has the molecular formula C21H22N4O6S and a molecular weight of 458.50 g/mol. Its IUPAC name is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide
PubChem CID1009728
Molecular FormulaC21H22N4O6S
Molecular Weight458.50 g/mol
Exact Mass458.13
IUPAC NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)cc2)cc1
InChIInChI=1S/C21H22N4O6S/c1-29-16-8-4-14(5-9-16)12-19(26)22-15-6-10-17(11-7-15)32(27,28)25-18-13-20(30-2)24-21(23-18)31-3/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyDFNNPNCKXDEDKL-UHFFFAOYSA-N
XLogP2.48
TPSA128.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-N-({4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)benzamide
CID 1989527
3-methoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 1219917
N-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)-4-methoxybenzamide
CID 1936794
3-{2-Methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzenesulfonamide
CID 11502516
N-[4-(2,6-Dimethoxy-pyrimidin-4-ylsulfamoyl)-phenyl]-2-o-tolyloxy-acetamide
CID 647000
N-[4-(2,6-Dimethyl-pyrimidin-4-ylsulfamoyl)-phenyl]-2,6-dimethoxy-benzamide
CID 651608
N-[4-(2,6-Dimethoxy-pyrimidin-4-ylsulfamoyl)-phenyl]-2-m-tolyloxy-acetamide
CID 1144624
2-(4-Methoxy-phenyl)-N-[4-(4-methyl-pyrimidin-2-ylsulfamoyl)-phenyl]-acetamide
CID 1150931
2-(4-tert-butylphenoxy)-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
CID 1320787
N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-methoxybenzamide
CID 1323464
Cambridge id 6931956
CID 1324776
N-[4-(2,6-Dimethyl-pyrimidin-4-ylsulfamoyl)-phenyl]-4-o-tolyloxy-butyramide
CID 1564331

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide (CID 1009728) is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)cc2)cc1.
What is the InChIKey of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is DFNNPNCKXDEDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O6S/c1-29-16-8-4-14(5-9-16)12-19(26)22-15-6-10-17(11-7-15)32(27,28)25-18-13-20(30-2)24-21(23-18)31-3/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide?
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 458.50 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1009728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).