N-[1-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfanyl)propanamide

C19H26N4O3S — CID 136617395

IUPACN-[1-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfanyl)propanamide
SMILESCCn1nc(NC(=O)C(C)(C)SC2CCOCC2)nc1-c1ccc(O)cc1
InChIInChI=1S/C19H26N4O3S/c1-4-23-16(13-5-7-14(24)8-6-13)20-18(22-23)21-17(25)19(2,3)27-15-9-11-26-12-10-15/h5-8,15,24H,4,9-12H2,1-3H3,(H,21,22,25)
InChIKeyWUNVLABKGBKTSH-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.30
Rot. Bonds6

About N-[1-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfanyl)propanamide

N-[1-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfanyl)propanamide (PubChem CID 136617395) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[1-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-[1-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfanyl)propanamide
PubChem CID136617395
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-[1-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfanyl)propanamide
SMILESCCn1nc(NC(=O)C(C)(C)SC2CCOCC2)nc1-c1ccc(O)cc1
InChIInChI=1S/C19H26N4O3S/c1-4-23-16(13-5-7-14(24)8-6-13)20-18(22-23)21-17(25)19(2,3)27-15-9-11-26-12-10-15/h5-8,15,24H,4,9-12H2,1-3H3,(H,21,22,25)
InChIKeyWUNVLABKGBKTSH-UHFFFAOYSA-N
XLogP3.30
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfanyl)propanamide 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

2-methyl-2-(oxan-4-ylsulfanyl)propanehydrazide
CID 163881817
2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfanyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide
CID 143964708
N-[3-(3-hydroxy-2-methylpentan-2-yl)-2-methyl-1,2-oxazol-2-ium-5-yl]-2-methyl-2-(oxan-4-ylsulfanyl)propanamide
CID 91418330
2-methyl-2-(oxan-4-ylsulfanyl)-N-[3-(oxolan-3-yl)-1,2-oxazol-5-yl]propanamide
CID 90801928
N-[7-(3,3-dimethylbutyl)-6-methyl-5,6-dihydro-4H-diazepin-3-yl]-2-methyl-2-(oxan-4-ylsulfanyl)propanamide
CID 123789238
2,4-dimethyl-N-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide
CID 86265237
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-[3-methoxy-4-(oxan-4-ylamino)phenyl]-N-methylquinazoline-4-carboxamide
CID 167060232
4-[2-hydroxy-1-(oxan-4-yl)propan-2-yl]phenol
CID 83075141
4-[3-(4-methylphenyl)-5-(oxan-4-ylamino)-1,2,4-triazol-1-yl]phenol
CID 167212073
N-(5-methyl-1,2-oxazol-3-yl)-3-(oxan-4-ylsulfanyl)propanamide
CID 75389694
N-[(3Z)-6-(2-hydroxyethoxy)-5,5-dimethyl-4-propoxyhexa-1,3-dien-2-yl]-2-methyl-2-(oxan-4-ylsulfanyl)propanamide
CID 143964882
N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2,2-dimethyl-5-(oxan-4-yl)pentanamide
CID 90689836

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfanyl)propanamide?
The IUPAC name of N-[1-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfanyl)propanamide (CID 136617395) is N-[1-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfanyl)propanamide.
What is the SMILES notation for N-[1-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfanyl)propanamide?
The canonical SMILES for N-[1-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfanyl)propanamide is CCn1nc(NC(=O)C(C)(C)SC2CCOCC2)nc1-c1ccc(O)cc1.
What is the InChIKey of N-[1-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfanyl)propanamide?
The InChIKey is WUNVLABKGBKTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-4-23-16(13-5-7-14(24)8-6-13)20-18(22-23)21-17(25)19(2,3)27-15-9-11-26-12-10-15/h5-8,15,24H,4,9-12H2,1-3H3,(H,21,22,25).
What are the key properties of N-[1-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfanyl)propanamide?
N-[1-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfanyl)propanamide has a molecular weight of 390.51 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfanyl)propanamide is sourced from PubChem (CID 136617395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).