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

C14H18N4O2S — CID 90648440

IUPAC4-(2-hydroxyethylsulfanyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(SCCO)cc1)c1nncn1C
InChIInChI=1S/C14H18N4O2S/c1-10(13-17-15-9-18(13)2)16-14(20)11-3-5-12(6-4-11)21-8-7-19/h3-6,9-10,19H,7-8H2,1-2H3,(H,16,20)
InChIKeyJAFJYQNKIYUUSE-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.39
Rot. Bonds6

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

4-(2-hydroxyethylsulfanyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (PubChem CID 90648440) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfanyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfanyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
PubChem CID90648440
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name4-(2-hydroxyethylsulfanyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(SCCO)cc1)c1nncn1C
InChIInChI=1S/C14H18N4O2S/c1-10(13-17-15-9-18(13)2)16-14(20)11-3-5-12(6-4-11)21-8-7-19/h3-6,9-10,19H,7-8H2,1-2H3,(H,16,20)
InChIKeyJAFJYQNKIYUUSE-UHFFFAOYSA-N
XLogP1.39
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(bromomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 102851127
4-N-tert-butyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 51093781
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-propylbenzamide
CID 47403301
3-chloro-4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62117193
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide
CID 62906671
3-amino-4-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62119351
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-sulfanylidenepropanamide
CID 62117174
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]benzoic acid
CID 60941368
3-amino-5-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 81094398
5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 90648293
2-bromo-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 54878197
3-[4-(cyclopropanecarbonyl)phenyl]-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 126448711

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylsulfanyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The IUPAC name of 4-(2-hydroxyethylsulfanyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (CID 90648440) is 4-(2-hydroxyethylsulfanyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-(2-hydroxyethylsulfanyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-(2-hydroxyethylsulfanyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is CC(NC(=O)c1ccc(SCCO)cc1)c1nncn1C.
What is the InChIKey of 4-(2-hydroxyethylsulfanyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The InChIKey is JAFJYQNKIYUUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10(13-17-15-9-18(13)2)16-14(20)11-3-5-12(6-4-11)21-8-7-19/h3-6,9-10,19H,7-8H2,1-2H3,(H,16,20).
What are the key properties of 4-(2-hydroxyethylsulfanyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
4-(2-hydroxyethylsulfanyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide has a molecular weight of 306.39 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylsulfanyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 90648440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).