N-benzyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide

C18H18N6O2S — CID 2294818

IUPACN-benzyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
SMILESCn1nnnc1SCC(=O)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C18H18N6O2S/c1-24-18(21-22-23-24)27-12-16(25)20-15-10-6-5-9-14(15)17(26)19-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,26)(H,20,25)
InChIKeyXUWPPEOQAHHHPM-UHFFFAOYSA-N
MW382.45 g/mol
LogP1.87
Rot. Bonds7

About N-benzyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide

N-benzyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide (PubChem CID 2294818) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-benzyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
PubChem CID2294818
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC NameN-benzyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
SMILESCn1nnnc1SCC(=O)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C18H18N6O2S/c1-24-18(21-22-23-24)27-12-16(25)20-15-10-6-5-9-14(15)17(26)19-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,26)(H,20,25)
InChIKeyXUWPPEOQAHHHPM-UHFFFAOYSA-N
XLogP1.87
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide (CID 2294818) is N-benzyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide is Cn1nnnc1SCC(=O)Nc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The InChIKey is XUWPPEOQAHHHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c1-24-18(21-22-23-24)27-12-16(25)20-15-10-6-5-9-14(15)17(26)19-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,26)(H,20,25).
What are the key properties of N-benzyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
N-benzyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide has a molecular weight of 382.45 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 2294818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).