N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propoxybenzamide

C15H20N4O2S — CID 3976716

IUPACN-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nn2c(C)nnc2SCC)c1
InChIInChI=1S/C15H20N4O2S/c1-4-9-21-13-8-6-7-12(10-13)14(20)18-19-11(3)16-17-15(19)22-5-2/h6-8,10H,4-5,9H2,1-3H3,(H,18,20)
InChIKeyGBHJQYVEKMTNQH-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.87
Rot. Bonds7

About N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propoxybenzamide

N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propoxybenzamide (PubChem CID 3976716) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propoxybenzamide
PubChem CID3976716
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nn2c(C)nnc2SCC)c1
InChIInChI=1S/C15H20N4O2S/c1-4-9-21-13-8-6-7-12(10-13)14(20)18-19-11(3)16-17-15(19)22-5-2/h6-8,10H,4-5,9H2,1-3H3,(H,18,20)
InChIKeyGBHJQYVEKMTNQH-UHFFFAOYSA-N
XLogP2.87
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propan-2-yloxybenzamide
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N'-benzoyl-3-propoxybenzohydrazide
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3-propoxybenzamide
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N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-bromo-4-ethoxybenzamide
CID 3384737
3,4-dichloro-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide
CID 3317623
N-cyclohexyl-3-propoxybenzamide
CID 4960053
N-(3-oxobutan-2-yl)-3-propoxybenzamide
CID 64996689
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 2988749

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propoxybenzamide?
The IUPAC name of N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propoxybenzamide (CID 3976716) is N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propoxybenzamide.
What is the SMILES notation for N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propoxybenzamide?
The canonical SMILES for N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propoxybenzamide is CCCOc1cccc(C(=O)Nn2c(C)nnc2SCC)c1.
What is the InChIKey of N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propoxybenzamide?
The InChIKey is GBHJQYVEKMTNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-4-9-21-13-8-6-7-12(10-13)14(20)18-19-11(3)16-17-15(19)22-5-2/h6-8,10H,4-5,9H2,1-3H3,(H,18,20).
What are the key properties of N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propoxybenzamide?
N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propoxybenzamide has a molecular weight of 320.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propoxybenzamide is sourced from PubChem (CID 3976716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).