(2S)-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-phenylpropane-1-sulfonamide

C17H20N4O3S — CID 96539862

IUPAC(2S)-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-phenylpropane-1-sulfonamide
SMILESC[C@H](CS(=O)(=O)NCCc1nc(-c2ccco2)n[nH]1)c1ccccc1
InChIInChI=1S/C17H20N4O3S/c1-13(14-6-3-2-4-7-14)12-25(22,23)18-10-9-16-19-17(21-20-16)15-8-5-11-24-15/h2-8,11,13,18H,9-10,12H2,1H3,(H,19,20,21)/t13-/m1/s1
InChIKeyAIUPJYUADAORHG-CYBMUJFWSA-N
MW360.44 g/mol
LogP2.33
Rot. Bonds8

About (2S)-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-phenylpropane-1-sulfonamide

(2S)-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-phenylpropane-1-sulfonamide (PubChem CID 96539862) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is (2S)-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-phenylpropane-1-sulfonamide
PubChem CID96539862
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name(2S)-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-phenylpropane-1-sulfonamide
SMILESC[C@H](CS(=O)(=O)NCCc1nc(-c2ccco2)n[nH]1)c1ccccc1
InChIInChI=1S/C17H20N4O3S/c1-13(14-6-3-2-4-7-14)12-25(22,23)18-10-9-16-19-17(21-20-16)15-8-5-11-24-15/h2-8,11,13,18H,9-10,12H2,1H3,(H,19,20,21)/t13-/m1/s1
InChIKeyAIUPJYUADAORHG-CYBMUJFWSA-N
XLogP2.33
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-phenylpropane-1-sulfonamide with MolForge

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Related Compounds

1-(ethylsulfonyl)-N-(2-furylmethyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 970919
3-(Furan-2-YL)-1-methanesulfonyl-N-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-amine
CID 16015358
1-(3,4-dimethylphenyl)-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 715335
5-Benzylsulfanyl-3-furan-2-yl-1H-[1,2,4]triazole
CID 735682
N-(furan-2-ylmethyl)-1-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 828755
2-(5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-phenethyl-acetamide
CID 860258
3-(2-furyl)-5-[(3-phenyl-2-propen-1-yl)thio]-4H-1,2,4-triazol-4-amine
CID 2043591
3-(2-furyl)-N-(4-isopropylbenzyl)-1H-1,2,4-triazol-5-amine
CID 16015443
3-(Furan-2-YL)-1-(4-methoxybenzenesulfonyl)-N-{[4-(propan-2-YL)phenyl]methyl}-1H-1,2,4-triazol-5-amine
CID 16015452
1-(5-(Furan-2-yl)-4H-1,2,4-triazol-3-yl)-7-phenylheptan-1-one
CID 24948913
3-(2-furyl)-1-[(4-methylphenyl)sulfonyl]-1H-1,2,4-triazol-5-ylamine
CID 828597
N-(furan-2-ylmethylcarbamoyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2669725

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-phenylpropane-1-sulfonamide?
The IUPAC name of (2S)-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-phenylpropane-1-sulfonamide (CID 96539862) is (2S)-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for (2S)-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-phenylpropane-1-sulfonamide?
The canonical SMILES for (2S)-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-phenylpropane-1-sulfonamide is C[C@H](CS(=O)(=O)NCCc1nc(-c2ccco2)n[nH]1)c1ccccc1.
What is the InChIKey of (2S)-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-phenylpropane-1-sulfonamide?
The InChIKey is AIUPJYUADAORHG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-13(14-6-3-2-4-7-14)12-25(22,23)18-10-9-16-19-17(21-20-16)15-8-5-11-24-15/h2-8,11,13,18H,9-10,12H2,1H3,(H,19,20,21)/t13-/m1/s1.
What are the key properties of (2S)-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-phenylpropane-1-sulfonamide?
(2S)-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-phenylpropane-1-sulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 96539862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).