4-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2,3,6-trimethylbenzenesulfonamide

C17H26N4O4S — CID 131951972

IUPAC4-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2,3,6-trimethylbenzenesulfonamide
SMILESCOCCCn1cnnc1CNS(=O)(=O)c1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C17H26N4O4S/c1-12-9-15(25-5)13(2)14(3)17(12)26(22,23)19-10-16-20-18-11-21(16)7-6-8-24-4/h9,11,19H,6-8,10H2,1-5H3
InChIKeyJZLPJCFJYYWMHN-UHFFFAOYSA-N
MW382.49 g/mol
LogP1.73
Rot. Bonds9

About 4-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2,3,6-trimethylbenzenesulfonamide

4-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2,3,6-trimethylbenzenesulfonamide (PubChem CID 131951972) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is 4-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2,3,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2,3,6-trimethylbenzenesulfonamide
PubChem CID131951972
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name4-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2,3,6-trimethylbenzenesulfonamide
SMILESCOCCCn1cnnc1CNS(=O)(=O)c1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C17H26N4O4S/c1-12-9-15(25-5)13(2)14(3)17(12)26(22,23)19-10-16-20-18-11-21(16)7-6-8-24-4/h9,11,19H,6-8,10H2,1-5H3
InChIKeyJZLPJCFJYYWMHN-UHFFFAOYSA-N
XLogP1.73
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2,3,6-trimethylbenzenesulfonamide with MolForge

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Related Compounds

2-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide
CID 131938285
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]ethanesulfonamide
CID 131901484
1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-methylmethanamine
CID 98013965
1-(4-fluorophenyl)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide
CID 131919964
4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 3602682
N-[(4-bromophenyl)methyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 3781710
4-methoxy-2,3,6-trimethyl-N-(2-sulfamoylethyl)benzenesulfonamide
CID 171675227
1-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-3-[(4-methylphenyl)methyl]urea
CID 131938862
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 91785470
4-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethylpyrimidine-2,4-diamine
CID 72853296
4-methoxy-2,3,6-trimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 5163002
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-6-methylpyrazin-2-amine
CID 134709049

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2,3,6-trimethylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2,3,6-trimethylbenzenesulfonamide (CID 131951972) is 4-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2,3,6-trimethylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2,3,6-trimethylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2,3,6-trimethylbenzenesulfonamide is COCCCn1cnnc1CNS(=O)(=O)c1c(C)cc(OC)c(C)c1C.
What is the InChIKey of 4-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2,3,6-trimethylbenzenesulfonamide?
The InChIKey is JZLPJCFJYYWMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-12-9-15(25-5)13(2)14(3)17(12)26(22,23)19-10-16-20-18-11-21(16)7-6-8-24-4/h9,11,19H,6-8,10H2,1-5H3.
What are the key properties of 4-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2,3,6-trimethylbenzenesulfonamide?
4-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2,3,6-trimethylbenzenesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2,3,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 131951972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).