5-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-2-methoxybenzenesulfonamide

C16H22N4O3S — CID 133462312

IUPAC5-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-2-methoxybenzenesulfonamide
SMILESCCc1cc(NCCc2ccc(OC)c(S(N)(=O)=O)c2)nc(C)n1
InChIInChI=1S/C16H22N4O3S/c1-4-13-10-16(20-11(2)19-13)18-8-7-12-5-6-14(23-3)15(9-12)24(17,21)22/h5-6,9-10H,4,7-8H2,1-3H3,(H2,17,21,22)(H,18,19,20)
InChIKeyZKQJVUXQPHJBHS-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.66
Rot. Bonds7

About 5-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-2-methoxybenzenesulfonamide

5-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-2-methoxybenzenesulfonamide (PubChem CID 133462312) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 5-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-2-methoxybenzenesulfonamide
PubChem CID133462312
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name5-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-2-methoxybenzenesulfonamide
SMILESCCc1cc(NCCc2ccc(OC)c(S(N)(=O)=O)c2)nc(C)n1
InChIInChI=1S/C16H22N4O3S/c1-4-13-10-16(20-11(2)19-13)18-8-7-12-5-6-14(23-3)15(9-12)24(17,21)22/h5-6,9-10H,4,7-8H2,1-3H3,(H2,17,21,22)(H,18,19,20)
InChIKeyZKQJVUXQPHJBHS-UHFFFAOYSA-N
XLogP1.66
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 65416274
5-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethyl]-2-methoxybenzenesulfonamide
CID 133463044
6-ethyl-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 65418225
2-methoxy-5-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydroiodide
CID 120971940
N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide
CID 71757647
4-[2-[[6-(tert-butylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112874870
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine
CID 61236065
5-(4-aminobutyl)-2-methoxybenzenesulfonamide;hydrochloride
CID 22157092
2-methoxy-5-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide
CID 133423878
2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide
CID 65374268
N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
CID 14099978
4-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112869368

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-2-methoxybenzenesulfonamide (CID 133462312) is 5-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-2-methoxybenzenesulfonamide is CCc1cc(NCCc2ccc(OC)c(S(N)(=O)=O)c2)nc(C)n1.
What is the InChIKey of 5-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is ZKQJVUXQPHJBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-4-13-10-16(20-11(2)19-13)18-8-7-12-5-6-14(23-3)15(9-12)24(17,21)22/h5-6,9-10H,4,7-8H2,1-3H3,(H2,17,21,22)(H,18,19,20).
What are the key properties of 5-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-2-methoxybenzenesulfonamide?
5-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 350.44 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 133462312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).