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

C15H20N4O2S — CID 952641

IUPACN-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propan-2-yloxybenzamide
SMILESCCSc1nnc(C)n1NC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H20N4O2S/c1-5-22-15-17-16-11(4)19(15)18-14(20)12-7-6-8-13(9-12)21-10(2)3/h6-10H,5H2,1-4H3,(H,18,20)
InChIKeyOPZPIVWMRBSDMM-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.87
Rot. Bonds6

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

N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propan-2-yloxybenzamide (PubChem CID 952641) 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-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propan-2-yloxybenzamide
PubChem CID952641
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propan-2-yloxybenzamide
SMILESCCSc1nnc(C)n1NC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H20N4O2S/c1-5-22-15-17-16-11(4)19(15)18-14(20)12-7-6-8-13(9-12)21-10(2)3/h6-10H,5H2,1-4H3,(H,18,20)
InChIKeyOPZPIVWMRBSDMM-UHFFFAOYSA-N
XLogP2.87
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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-propoxybenzamide
CID 3976716
3,4-dichloro-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide
CID 3317623
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-bromo-4-ethoxybenzamide
CID 3384737
N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-butoxybenzamide
CID 5043097
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-propan-2-yloxybenzamide
CID 107866608
N-(3-carbamothioylpentan-3-yl)-3-propan-2-yloxybenzamide
CID 62920330
2-hydroxy-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 103453162
N-[[5-ethylsulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide
CID 4536203
butan-2-yl 3-propan-2-yloxybenzoate
CID 82186277
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-3-propan-2-yloxybenzamide
CID 131905021
3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 17142916

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propan-2-yloxybenzamide?
The IUPAC name of N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propan-2-yloxybenzamide (CID 952641) is N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propan-2-yloxybenzamide is CCSc1nnc(C)n1NC(=O)c1cccc(OC(C)C)c1.
What is the InChIKey of N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propan-2-yloxybenzamide?
The InChIKey is OPZPIVWMRBSDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-5-22-15-17-16-11(4)19(15)18-14(20)12-7-6-8-13(9-12)21-10(2)3/h6-10H,5H2,1-4H3,(H,18,20).
What are the key properties of N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propan-2-yloxybenzamide?
N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-propan-2-yloxybenzamide has a molecular weight of 320.42 g/mol, XLogP of 2.87, 6 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-propan-2-yloxybenzamide is sourced from PubChem (CID 952641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).