N-(2,6-dichlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide

C19H13Cl2N5OS — CID 5275103

IUPACN-(2,6-dichlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc2ccccc12)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H13Cl2N5OS/c20-14-8-4-9-15(21)18(14)22-17(27)11-28-19-23-24-25-26(19)16-10-3-6-12-5-1-2-7-13(12)16/h1-10H,11H2,(H,22,27)
InChIKeyUEBHTEAWFADHCC-UHFFFAOYSA-N
MW430.32 g/mol
LogP4.85
Rot. Bonds5

About N-(2,6-dichlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide

N-(2,6-dichlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 5275103) has the molecular formula C19H13Cl2N5OS and a molecular weight of 430.32 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
PubChem CID5275103
Molecular FormulaC19H13Cl2N5OS
Molecular Weight430.32 g/mol
Exact Mass429.02
IUPAC NameN-(2,6-dichlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc2ccccc12)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H13Cl2N5OS/c20-14-8-4-9-15(21)18(14)22-17(27)11-28-19-23-24-25-26(19)16-10-3-6-12-5-1-2-7-13(12)16/h1-10H,11H2,(H,22,27)
InChIKeyUEBHTEAWFADHCC-UHFFFAOYSA-N
XLogP4.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.32
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide (CID 5275103) is N-(2,6-dichlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1cccc2ccccc12)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is UEBHTEAWFADHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5OS/c20-14-8-4-9-15(21)18(14)22-17(27)11-28-19-23-24-25-26(19)16-10-3-6-12-5-1-2-7-13(12)16/h1-10H,11H2,(H,22,27).
What are the key properties of N-(2,6-dichlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
N-(2,6-dichlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 430.32 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 5275103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).