N-(3-phenoxypropyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

C19H20N4O2S — CID 33048406

IUPACN-(3-phenoxypropyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
SMILESO=C(NCCCOc1ccccc1)c1ccc(CSc2ncn[nH]2)cc1
InChIInChI=1S/C19H20N4O2S/c24-18(20-11-4-12-25-17-5-2-1-3-6-17)16-9-7-15(8-10-16)13-26-19-21-14-22-23-19/h1-3,5-10,14H,4,11-13H2,(H,20,24)(H,21,22,23)
InChIKeyQEDZPGNVXDUQEP-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.30
Rot. Bonds9

About N-(3-phenoxypropyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

N-(3-phenoxypropyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide (PubChem CID 33048406) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(3-phenoxypropyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-phenoxypropyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
PubChem CID33048406
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-(3-phenoxypropyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
SMILESO=C(NCCCOc1ccccc1)c1ccc(CSc2ncn[nH]2)cc1
InChIInChI=1S/C19H20N4O2S/c24-18(20-11-4-12-25-17-5-2-1-3-6-17)16-9-7-15(8-10-16)13-26-19-21-14-22-23-19/h1-3,5-10,14H,4,11-13H2,(H,20,24)(H,21,22,23)
InChIKeyQEDZPGNVXDUQEP-UHFFFAOYSA-N
XLogP3.30
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-phenoxypropyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide 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

N-(3-aminopropyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide;dihydrochloride
CID 119405139
N-(2-hydroxyethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 78795124
N'-(4-hexoxybenzoyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzohydrazide
CID 55370125
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-phenoxyethyl)benzamide
CID 27758091
N-[4-(4-fluorophenoxy)butyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 134056036
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 25363327
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 31008571
N-[3-(phenylcarbamoylamino)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 55515308
N-[2-(2-ethylanilino)-2-oxoethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 9108313
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 120948363
N-quinolin-2-yl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 9360079
N-[(2R)-2-(ethylamino)propyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide;dihydrochloride
CID 120654034

Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxypropyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(3-phenoxypropyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide (CID 33048406) is N-(3-phenoxypropyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(3-phenoxypropyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(3-phenoxypropyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide is O=C(NCCCOc1ccccc1)c1ccc(CSc2ncn[nH]2)cc1.
What is the InChIKey of N-(3-phenoxypropyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The InChIKey is QEDZPGNVXDUQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-18(20-11-4-12-25-17-5-2-1-3-6-17)16-9-7-15(8-10-16)13-26-19-21-14-22-23-19/h1-3,5-10,14H,4,11-13H2,(H,20,24)(H,21,22,23).
What are the key properties of N-(3-phenoxypropyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
N-(3-phenoxypropyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide has a molecular weight of 368.46 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxypropyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 33048406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).