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

C21H22N4O4S2 — CID 25043414

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccccc1SCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C21H22N4O4S2/c1-14-12-15(2)23-21(22-14)25-31(27,28)17-10-8-16(9-11-17)24-20(26)13-30-19-7-5-4-6-18(19)29-3/h4-12H,13H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyFKDZKMRFMQEWLE-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.63
Rot. Bonds8

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

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-methoxyphenyl)sulfanylacetamide (PubChem CID 25043414) has the molecular formula C21H22N4O4S2 and a molecular weight of 458.57 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-methoxyphenyl)sulfanylacetamide
PubChem CID25043414
Molecular FormulaC21H22N4O4S2
Molecular Weight458.57 g/mol
Exact Mass458.11
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccccc1SCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C21H22N4O4S2/c1-14-12-15(2)23-21(22-14)25-31(27,28)17-10-8-16(9-11-17)24-20(26)13-30-19-7-5-4-6-18(19)29-3/h4-12H,13H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyFKDZKMRFMQEWLE-UHFFFAOYSA-N
XLogP3.63
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 1116398
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 43886626
2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 30390096
3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 4199590
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 25036662
2-(2,6-dimethylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 1015505
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 43876944
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
CID 2130230
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 25043654
5-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-5-oxopentanoic acid
CID 2813400

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-methoxyphenyl)sulfanylacetamide (CID 25043414) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-methoxyphenyl)sulfanylacetamide is COc1ccccc1SCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-methoxyphenyl)sulfanylacetamide?
The InChIKey is FKDZKMRFMQEWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S2/c1-14-12-15(2)23-21(22-14)25-31(27,28)17-10-8-16(9-11-17)24-20(26)13-30-19-7-5-4-6-18(19)29-3/h4-12H,13H2,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-methoxyphenyl)sulfanylacetamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-methoxyphenyl)sulfanylacetamide has a molecular weight of 458.57 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 25043414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).