4-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide

C17H19N5O2S — CID 7664767

IUPAC4-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)cc1
InChIInChI=1S/C17H19N5O2S/c18-15(24)10-3-5-12(6-4-10)19-14(23)9-25-17-21-20-16(11-1-2-11)22(17)13-7-8-13/h3-6,11,13H,1-2,7-9H2,(H2,18,24)(H,19,23)
InChIKeyUYPDMLROQBGBGC-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.32
Rot. Bonds7

About 4-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide

4-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide (PubChem CID 7664767) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
PubChem CID7664767
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name4-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)cc1
InChIInChI=1S/C17H19N5O2S/c18-15(24)10-3-5-12(6-4-10)19-14(23)9-25-17-21-20-16(11-1-2-11)22(17)13-7-8-13/h3-6,11,13H,1-2,7-9H2,(H2,18,24)(H,19,23)
InChIKeyUYPDMLROQBGBGC-UHFFFAOYSA-N
XLogP2.32
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide (CID 7664767) is 4-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)cc1.
What is the InChIKey of 4-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide?
The InChIKey is UYPDMLROQBGBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c18-15(24)10-3-5-12(6-4-10)19-14(23)9-25-17-21-20-16(11-1-2-11)22(17)13-7-8-13/h3-6,11,13H,1-2,7-9H2,(H2,18,24)(H,19,23).
What are the key properties of 4-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide?
4-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide has a molecular weight of 357.44 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 7664767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).