N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C16H14ClN5OS2 — CID 2587488

IUPACN-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN5OS2/c1-22-16(19-20-21-22)24-10-15(23)18-13-4-2-3-5-14(13)25-12-8-6-11(17)7-9-12/h2-9H,10H2,1H3,(H,18,23)
InChIKeyLXOKBCRCIGVKPO-UHFFFAOYSA-N
MW391.91 g/mol
LogP3.75
Rot. Bonds6

About N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2587488) has the molecular formula C16H14ClN5OS2 and a molecular weight of 391.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID2587488
Molecular FormulaC16H14ClN5OS2
Molecular Weight391.91 g/mol
Exact Mass391.03
IUPAC NameN-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN5OS2/c1-22-16(19-20-21-22)24-10-15(23)18-13-4-2-3-5-14(13)25-12-8-6-11(17)7-9-12/h2-9H,10H2,1H3,(H,18,23)
InChIKeyLXOKBCRCIGVKPO-UHFFFAOYSA-N
XLogP3.75
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.91
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 2587488) is N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is LXOKBCRCIGVKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5OS2/c1-22-16(19-20-21-22)24-10-15(23)18-13-4-2-3-5-14(13)25-12-8-6-11(17)7-9-12/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 391.91 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2587488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).