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

C12H14N6O2S — CID 1301815

IUPACN-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nnnn2C)c1
InChIInChI=1S/C12H14N6O2S/c1-8(19)13-9-4-3-5-10(6-9)14-11(20)7-21-12-15-16-17-18(12)2/h3-6H,7H2,1-2H3,(H,13,19)(H,14,20)
InChIKeyVMVSFZQWZSVAOE-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.90
Rot. Bonds5

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

N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 1301815) has the molecular formula C12H14N6O2S and a molecular weight of 306.35 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID1301815
Molecular FormulaC12H14N6O2S
Molecular Weight306.35 g/mol
Exact Mass306.09
IUPAC NameN-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nnnn2C)c1
InChIInChI=1S/C12H14N6O2S/c1-8(19)13-9-4-3-5-10(6-9)14-11(20)7-21-12-15-16-17-18(12)2/h3-6H,7H2,1-2H3,(H,13,19)(H,14,20)
InChIKeyVMVSFZQWZSVAOE-UHFFFAOYSA-N
XLogP0.90
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.90
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-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 1301815) is N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is CC(=O)Nc1cccc(NC(=O)CSc2nnnn2C)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is VMVSFZQWZSVAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2S/c1-8(19)13-9-4-3-5-10(6-9)14-11(20)7-21-12-15-16-17-18(12)2/h3-6H,7H2,1-2H3,(H,13,19)(H,14,20).
What are the key properties of N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 306.35 g/mol, XLogP of 0.90, 5 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-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 1301815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).