2-(4-ethylphenoxy)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]ethanesulfonamide

C16H18N6O3S — CID 121135488

IUPAC2-(4-ethylphenoxy)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]ethanesulfonamide
SMILESCCc1ccc(OCCS(=O)(=O)Nc2cc(-n3cncn3)ncn2)cc1
InChIInChI=1S/C16H18N6O3S/c1-2-13-3-5-14(6-4-13)25-7-8-26(23,24)21-15-9-16(19-11-18-15)22-12-17-10-20-22/h3-6,9-12H,2,7-8H2,1H3,(H,18,19,21)
InChIKeyUBGZDNHDIUUKHX-UHFFFAOYSA-N
MW374.43 g/mol
LogP1.44
Rot. Bonds8

About 2-(4-ethylphenoxy)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]ethanesulfonamide

2-(4-ethylphenoxy)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]ethanesulfonamide (PubChem CID 121135488) has the molecular formula C16H18N6O3S and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]ethanesulfonamide
PubChem CID121135488
Molecular FormulaC16H18N6O3S
Molecular Weight374.43 g/mol
Exact Mass374.12
IUPAC Name2-(4-ethylphenoxy)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]ethanesulfonamide
SMILESCCc1ccc(OCCS(=O)(=O)Nc2cc(-n3cncn3)ncn2)cc1
InChIInChI=1S/C16H18N6O3S/c1-2-13-3-5-14(6-4-13)25-7-8-26(23,24)21-15-9-16(19-11-18-15)22-12-17-10-20-22/h3-6,9-12H,2,7-8H2,1H3,(H,18,19,21)
InChIKeyUBGZDNHDIUUKHX-UHFFFAOYSA-N
XLogP1.44
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(4-ethylphenoxy)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]ethanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(4-ethylphenoxy)ethanesulfonamide
CID 121135181
1-(3-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methanesulfonamide
CID 121135495
4-propyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135484
N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121135441
5-bromo-2-methoxy-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135452
N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518737
N-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518736
2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide
CID 90518830
2,4-dichloro-5-methyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135483
2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)ethanesulfonamide
CID 90518914
2-(4-ethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)ethanesulfonamide
CID 90518762
N-[2-(4-fluorophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
CID 155942152

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]ethanesulfonamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]ethanesulfonamide (CID 121135488) is 2-(4-ethylphenoxy)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]ethanesulfonamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]ethanesulfonamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]ethanesulfonamide is CCc1ccc(OCCS(=O)(=O)Nc2cc(-n3cncn3)ncn2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]ethanesulfonamide?
The InChIKey is UBGZDNHDIUUKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3S/c1-2-13-3-5-14(6-4-13)25-7-8-26(23,24)21-15-9-16(19-11-18-15)22-12-17-10-20-22/h3-6,9-12H,2,7-8H2,1H3,(H,18,19,21).
What are the key properties of 2-(4-ethylphenoxy)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]ethanesulfonamide?
2-(4-ethylphenoxy)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]ethanesulfonamide has a molecular weight of 374.43 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 121135488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).