N-(3-acetamidophenyl)-2-(1-benzyltetrazol-5-yl)sulfanylacetamide

C18H18N6O2S — CID 644552

IUPACN-(3-acetamidophenyl)-2-(1-benzyltetrazol-5-yl)sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nnnn2Cc2ccccc2)c1
InChIInChI=1S/C18H18N6O2S/c1-13(25)19-15-8-5-9-16(10-15)20-17(26)12-27-18-21-22-23-24(18)11-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,19,25)(H,20,26)
InChIKeyRIUKYNQRDZCGNR-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.41
Rot. Bonds7

About N-(3-acetamidophenyl)-2-(1-benzyltetrazol-5-yl)sulfanylacetamide

N-(3-acetamidophenyl)-2-(1-benzyltetrazol-5-yl)sulfanylacetamide (PubChem CID 644552) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(1-benzyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(1-benzyltetrazol-5-yl)sulfanylacetamide
PubChem CID644552
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC NameN-(3-acetamidophenyl)-2-(1-benzyltetrazol-5-yl)sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nnnn2Cc2ccccc2)c1
InChIInChI=1S/C18H18N6O2S/c1-13(25)19-15-8-5-9-16(10-15)20-17(26)12-27-18-21-22-23-24(18)11-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,19,25)(H,20,26)
InChIKeyRIUKYNQRDZCGNR-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(1-benzyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(1-benzyltetrazol-5-yl)sulfanylacetamide (CID 644552) is N-(3-acetamidophenyl)-2-(1-benzyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(1-benzyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(1-benzyltetrazol-5-yl)sulfanylacetamide is CC(=O)Nc1cccc(NC(=O)CSc2nnnn2Cc2ccccc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(1-benzyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is RIUKYNQRDZCGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c1-13(25)19-15-8-5-9-16(10-15)20-17(26)12-27-18-21-22-23-24(18)11-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,19,25)(H,20,26).
What are the key properties of N-(3-acetamidophenyl)-2-(1-benzyltetrazol-5-yl)sulfanylacetamide?
N-(3-acetamidophenyl)-2-(1-benzyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 382.45 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(1-benzyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 644552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).