N-(3-acetamidophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

C14H18N6O2S — CID 647370

IUPACN-(3-acetamidophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nnnn2C(C)C)c1
InChIInChI=1S/C14H18N6O2S/c1-9(2)20-14(17-18-19-20)23-8-13(22)16-12-6-4-5-11(7-12)15-10(3)21/h4-7,9H,8H2,1-3H3,(H,15,21)(H,16,22)
InChIKeyRVKCVGGFRXIVJL-UHFFFAOYSA-N
MW334.41 g/mol
LogP1.94
Rot. Bonds6

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

N-(3-acetamidophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 647370) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
PubChem CID647370
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC NameN-(3-acetamidophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nnnn2C(C)C)c1
InChIInChI=1S/C14H18N6O2S/c1-9(2)20-14(17-18-19-20)23-8-13(22)16-12-6-4-5-11(7-12)15-10(3)21/h4-7,9H,8H2,1-3H3,(H,15,21)(H,16,22)
InChIKeyRVKCVGGFRXIVJL-UHFFFAOYSA-N
XLogP1.94
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 51.94
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-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (CID 647370) is N-(3-acetamidophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is CC(=O)Nc1cccc(NC(=O)CSc2nnnn2C(C)C)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is RVKCVGGFRXIVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2S/c1-9(2)20-14(17-18-19-20)23-8-13(22)16-12-6-4-5-11(7-12)15-10(3)21/h4-7,9H,8H2,1-3H3,(H,15,21)(H,16,22).
What are the key properties of N-(3-acetamidophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
N-(3-acetamidophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 334.41 g/mol, XLogP of 1.94, 6 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-propan-2-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 647370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).