N-ethyl-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide

C18H20N4O2S — CID 51300392

IUPACN-ethyl-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide
SMILESCCN(C(=O)C(C)Sc1nncn1Cc1ccco1)c1ccccc1
InChIInChI=1S/C18H20N4O2S/c1-3-22(15-8-5-4-6-9-15)17(23)14(2)25-18-20-19-13-21(18)12-16-10-7-11-24-16/h4-11,13-14H,3,12H2,1-2H3
InChIKeyGNKMDBPQNLOOBG-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.45
Rot. Bonds7

About N-ethyl-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide

N-ethyl-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide (PubChem CID 51300392) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-ethyl-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide
PubChem CID51300392
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-ethyl-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide
SMILESCCN(C(=O)C(C)Sc1nncn1Cc1ccco1)c1ccccc1
InChIInChI=1S/C18H20N4O2S/c1-3-22(15-8-5-4-6-9-15)17(23)14(2)25-18-20-19-13-21(18)12-16-10-7-11-24-16/h4-11,13-14H,3,12H2,1-2H3
InChIKeyGNKMDBPQNLOOBG-UHFFFAOYSA-N
XLogP3.45
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylpropanamide
CID 51645623
2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)propanamide
CID 51300461
N-ethyl-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide
CID 78759546
2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylacetamide
CID 17435078
(2R)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
CID 2673778
2-[1-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 55481991
(2R)-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone
CID 30096086
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 51258457
3-[1-(4-fluorophenyl)ethylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazole
CID 47016770
2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 18132828
(2S)-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 52514493
N-[4-(dimethylamino)phenyl]-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 18132764

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide?
The IUPAC name of N-ethyl-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide (CID 51300392) is N-ethyl-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide.
What is the SMILES notation for N-ethyl-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide?
The canonical SMILES for N-ethyl-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide is CCN(C(=O)C(C)Sc1nncn1Cc1ccco1)c1ccccc1.
What is the InChIKey of N-ethyl-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide?
The InChIKey is GNKMDBPQNLOOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-3-22(15-8-5-4-6-9-15)17(23)14(2)25-18-20-19-13-21(18)12-16-10-7-11-24-16/h4-11,13-14H,3,12H2,1-2H3.
What are the key properties of N-ethyl-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide?
N-ethyl-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide has a molecular weight of 356.45 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide is sourced from PubChem (CID 51300392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).