2,4-dimethoxy-N-[2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide

C17H24N4O4S — CID 26345319

IUPAC2,4-dimethoxy-N-[2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
SMILESCOCCSc1nnc(CCNC(=O)c2ccc(OC)cc2OC)n1C
InChIInChI=1S/C17H24N4O4S/c1-21-15(19-20-17(21)26-10-9-23-2)7-8-18-16(22)13-6-5-12(24-3)11-14(13)25-4/h5-6,11H,7-10H2,1-4H3,(H,18,22)
InChIKeyNZYPLPYSNUPMCW-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.54
Rot. Bonds10

About 2,4-dimethoxy-N-[2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide

2,4-dimethoxy-N-[2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide (PubChem CID 26345319) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
PubChem CID26345319
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name2,4-dimethoxy-N-[2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
SMILESCOCCSc1nnc(CCNC(=O)c2ccc(OC)cc2OC)n1C
InChIInChI=1S/C17H24N4O4S/c1-21-15(19-20-17(21)26-10-9-23-2)7-8-18-16(22)13-6-5-12(24-3)11-14(13)25-4/h5-6,11H,7-10H2,1-4H3,(H,18,22)
InChIKeyNZYPLPYSNUPMCW-UHFFFAOYSA-N
XLogP1.54
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide
CID 26346600
3,4-dichloro-N-[2-[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 1255710
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
N-[2-[5-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide
CID 3424898
(E)-3-(2-chlorophenyl)-N-[2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]ethyl]prop-2-enamide
CID 126464180
N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide
CID 9474056
N-[2-[5-[(3-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]-2,3,4-trimethoxybenzamide
CID 25292199
4-methoxy-N-[2-[4-methyl-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzamide
CID 42168003
N-[2-[4-ethyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide
CID 4020088
2,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 7974411

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide (CID 26345319) is 2,4-dimethoxy-N-[2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide is COCCSc1nnc(CCNC(=O)c2ccc(OC)cc2OC)n1C.
What is the InChIKey of 2,4-dimethoxy-N-[2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide?
The InChIKey is NZYPLPYSNUPMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-21-15(19-20-17(21)26-10-9-23-2)7-8-18-16(22)13-6-5-12(24-3)11-14(13)25-4/h5-6,11H,7-10H2,1-4H3,(H,18,22).
What are the key properties of 2,4-dimethoxy-N-[2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide?
2,4-dimethoxy-N-[2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide has a molecular weight of 380.47 g/mol, XLogP of 1.54, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[2-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide is sourced from PubChem (CID 26345319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).