3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(4-methoxyphenyl)-5-methylsulfonyl-1,2,4-triazole

C23H29N3O7S — CID 59829843

IUPAC3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(4-methoxyphenyl)-5-methylsulfonyl-1,2,4-triazole
SMILESCOCOc1cc(OCOC)c(C(C)C)cc1-c1nnc(S(C)(=O)=O)n1-c1ccc(OC)cc1
InChIInChI=1S/C23H29N3O7S/c1-15(2)18-11-19(21(33-14-30-4)12-20(18)32-13-29-3)22-24-25-23(34(6,27)28)26(22)16-7-9-17(31-5)10-8-16/h7-12,15H,13-14H2,1-6H3
InChIKeyPZIMGEGDMUWPJY-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.44
Rot. Bonds11

About 3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(4-methoxyphenyl)-5-methylsulfonyl-1,2,4-triazole

3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(4-methoxyphenyl)-5-methylsulfonyl-1,2,4-triazole (PubChem CID 59829843) has the molecular formula C23H29N3O7S and a molecular weight of 491.57 g/mol. Its IUPAC name is 3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(4-methoxyphenyl)-5-methylsulfonyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(4-methoxyphenyl)-5-methylsulfonyl-1,2,4-triazole
PubChem CID59829843
Molecular FormulaC23H29N3O7S
Molecular Weight491.57 g/mol
Exact Mass491.17
IUPAC Name3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(4-methoxyphenyl)-5-methylsulfonyl-1,2,4-triazole
SMILESCOCOc1cc(OCOC)c(C(C)C)cc1-c1nnc(S(C)(=O)=O)n1-c1ccc(OC)cc1
InChIInChI=1S/C23H29N3O7S/c1-15(2)18-11-19(21(33-14-30-4)12-20(18)32-13-29-3)22-24-25-23(34(6,27)28)26(22)16-7-9-17(31-5)10-8-16/h7-12,15H,13-14H2,1-6H3
InChIKeyPZIMGEGDMUWPJY-UHFFFAOYSA-N
XLogP3.44
TPSA111.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(4-methoxyphenyl)-5-methylsulfonyl-1,2,4-triazole 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

3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazol-5-one
CID 59829857
4-methyl-5-(5-methylsulfonyl-4-naphthalen-2-yl-1,2,4-triazol-3-yl)thiadiazole
CID 102013383
5-(5-bromo-2,4-dibutoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamide
CID 68655142
N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]acetamide
CID 66986539
4-[4-[(4-methoxyphenyl)methyl]-5-methylsulfonyl-1,2,4-triazol-3-yl]pyridine
CID 59698734
5-(2,4-dimethoxy-5-propan-2-ylphenyl)-4-(4-methylphenyl)-N-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazole-3-carboxamide;ethane
CID 176552232
4-(methoxymethoxy)-2-methyl-5-propan-2-ylaniline
CID 65365399
4-(4-methoxyphenyl)-3-(2,3,4-trimethoxy-5-propan-2-ylphenyl)-1H-1,2,4-triazole-5-thione
CID 87761601
4-(methoxymethoxy)-3-propan-2-ylbenzoic acid
CID 164892352
3-chloro-4-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-triazole
CID 63383869
1-[(4-methoxyphenyl)methyl]-3-propan-2-ylpyrazole-5-carboxylic acid
CID 82306829
3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 1142987

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(4-methoxyphenyl)-5-methylsulfonyl-1,2,4-triazole?
The IUPAC name of 3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(4-methoxyphenyl)-5-methylsulfonyl-1,2,4-triazole (CID 59829843) is 3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(4-methoxyphenyl)-5-methylsulfonyl-1,2,4-triazole.
What is the SMILES notation for 3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(4-methoxyphenyl)-5-methylsulfonyl-1,2,4-triazole?
The canonical SMILES for 3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(4-methoxyphenyl)-5-methylsulfonyl-1,2,4-triazole is COCOc1cc(OCOC)c(C(C)C)cc1-c1nnc(S(C)(=O)=O)n1-c1ccc(OC)cc1.
What is the InChIKey of 3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(4-methoxyphenyl)-5-methylsulfonyl-1,2,4-triazole?
The InChIKey is PZIMGEGDMUWPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O7S/c1-15(2)18-11-19(21(33-14-30-4)12-20(18)32-13-29-3)22-24-25-23(34(6,27)28)26(22)16-7-9-17(31-5)10-8-16/h7-12,15H,13-14H2,1-6H3.
What are the key properties of 3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(4-methoxyphenyl)-5-methylsulfonyl-1,2,4-triazole?
3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(4-methoxyphenyl)-5-methylsulfonyl-1,2,4-triazole has a molecular weight of 491.57 g/mol, XLogP of 3.44, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-(4-methoxyphenyl)-5-methylsulfonyl-1,2,4-triazole is sourced from PubChem (CID 59829843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).