N-[2-(diethylamino)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

C16H23N5OS — CID 134016776

IUPACN-[2-(diethylamino)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
SMILESCCN(CC)CCNC(=O)c1ccccc1CSc1ncn[nH]1
InChIInChI=1S/C16H23N5OS/c1-3-21(4-2)10-9-17-15(22)14-8-6-5-7-13(14)11-23-16-18-12-19-20-16/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,22)(H,18,19,20)
InChIKeyYHBGOGFTUMTDOS-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.17
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

N-[2-(diethylamino)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide (PubChem CID 134016776) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
PubChem CID134016776
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-[2-(diethylamino)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
SMILESCCN(CC)CCNC(=O)c1ccccc1CSc1ncn[nH]1
InChIInChI=1S/C16H23N5OS/c1-3-21(4-2)10-9-17-15(22)14-8-6-5-7-13(14)11-23-16-18-12-19-20-16/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,22)(H,18,19,20)
InChIKeyYHBGOGFTUMTDOS-UHFFFAOYSA-N
XLogP2.17
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-fluorophenoxy)butyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 134056036
N-(furan-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 134016667
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 8005935
2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
CID 17218370
N-[2-(diethylamino)ethyl]-2-hydroxybenzamide;hydrochloride
CID 21331721
methyl 2-amino-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoate
CID 113457458
N-(1,2-dihydroacenaphthylen-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 134032757
N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547307
N-[2-[ethyl(propyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 103824860
2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(diethylamino)ethyl]benzamide
CID 112759750
N-methyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine
CID 62467120
N-[2-(diethylamino)ethyl]-2-methoxypyridine-3-carboxamide
CID 15462606

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide (CID 134016776) is N-[2-(diethylamino)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide is CCN(CC)CCNC(=O)c1ccccc1CSc1ncn[nH]1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The InChIKey is YHBGOGFTUMTDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-3-21(4-2)10-9-17-15(22)14-8-6-5-7-13(14)11-23-16-18-12-19-20-16/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,22)(H,18,19,20).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
N-[2-(diethylamino)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide has a molecular weight of 333.46 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 134016776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).