3-[3-(furan-2-yl)-5-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide

C17H19N5O3S2 — CID 33224928

IUPAC3-[3-(furan-2-yl)-5-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide
SMILESNC(=O)CCn1c(SCC(=O)NCCc2cccs2)nnc1-c1ccco1
InChIInChI=1S/C17H19N5O3S2/c18-14(23)6-8-22-16(13-4-1-9-25-13)20-21-17(22)27-11-15(24)19-7-5-12-3-2-10-26-12/h1-4,9-10H,5-8,11H2,(H2,18,23)(H,19,24)
InChIKeyVBLFXGQSUCFBEO-UHFFFAOYSA-N
MW405.51 g/mol
LogP1.93
Rot. Bonds10

About 3-[3-(furan-2-yl)-5-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide

3-[3-(furan-2-yl)-5-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide (PubChem CID 33224928) has the molecular formula C17H19N5O3S2 and a molecular weight of 405.51 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)-5-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide.

Molecular Properties

Compound Name3-[3-(furan-2-yl)-5-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide
PubChem CID33224928
Molecular FormulaC17H19N5O3S2
Molecular Weight405.51 g/mol
Exact Mass405.09
IUPAC Name3-[3-(furan-2-yl)-5-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide
SMILESNC(=O)CCn1c(SCC(=O)NCCc2cccs2)nnc1-c1ccco1
InChIInChI=1S/C17H19N5O3S2/c18-14(23)6-8-22-16(13-4-1-9-25-13)20-21-17(22)27-11-15(24)19-7-5-12-3-2-10-26-12/h1-4,9-10H,5-8,11H2,(H2,18,23)(H,19,24)
InChIKeyVBLFXGQSUCFBEO-UHFFFAOYSA-N
XLogP1.93
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 55384384
3-[3-(furan-2-yl)-5-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide
CID 24630921
3-[3-(furan-2-yl)-5-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide
CID 36883631
2-[[5-(furan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 653311
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 653463
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 8939410
3-[3-(furan-2-yl)-5-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide
CID 42939141
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentylacetamide
CID 27929330
3-[3-(furan-2-yl)-5-(2-methoxyethylsulfanyl)-1,2,4-triazol-4-yl]propanamide
CID 36886446
3-[3-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]sulfanyl-5-(furan-2-yl)-1,2,4-triazol-4-yl]propanamide
CID 33223774
2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 7630004
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 8581541

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)-5-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide?
The IUPAC name of 3-[3-(furan-2-yl)-5-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide (CID 33224928) is 3-[3-(furan-2-yl)-5-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide.
What is the SMILES notation for 3-[3-(furan-2-yl)-5-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide?
The canonical SMILES for 3-[3-(furan-2-yl)-5-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide is NC(=O)CCn1c(SCC(=O)NCCc2cccs2)nnc1-c1ccco1.
What is the InChIKey of 3-[3-(furan-2-yl)-5-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide?
The InChIKey is VBLFXGQSUCFBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S2/c18-14(23)6-8-22-16(13-4-1-9-25-13)20-21-17(22)27-11-15(24)19-7-5-12-3-2-10-26-12/h1-4,9-10H,5-8,11H2,(H2,18,23)(H,19,24).
What are the key properties of 3-[3-(furan-2-yl)-5-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide?
3-[3-(furan-2-yl)-5-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide has a molecular weight of 405.51 g/mol, XLogP of 1.93, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-yl)-5-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide is sourced from PubChem (CID 33224928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).