N-(2-chlorophenyl)-N-methyl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide

C20H16ClN5OS — CID 5275149

IUPACN-(2-chlorophenyl)-N-methyl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
SMILESCN(C(=O)CSc1nnnn1-c1cccc2ccccc12)c1ccccc1Cl
InChIInChI=1S/C20H16ClN5OS/c1-25(18-11-5-4-10-16(18)21)19(27)13-28-20-22-23-24-26(20)17-12-6-8-14-7-2-3-9-15(14)17/h2-12H,13H2,1H3
InChIKeySUMFCSCFXZIPSK-UHFFFAOYSA-N
MW409.90 g/mol
LogP4.22
Rot. Bonds5

About N-(2-chlorophenyl)-N-methyl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide

N-(2-chlorophenyl)-N-methyl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 5275149) has the molecular formula C20H16ClN5OS and a molecular weight of 409.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-methyl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-methyl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
PubChem CID5275149
Molecular FormulaC20H16ClN5OS
Molecular Weight409.90 g/mol
Exact Mass409.08
IUPAC NameN-(2-chlorophenyl)-N-methyl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
SMILESCN(C(=O)CSc1nnnn1-c1cccc2ccccc12)c1ccccc1Cl
InChIInChI=1S/C20H16ClN5OS/c1-25(18-11-5-4-10-16(18)21)19(27)13-28-20-22-23-24-26(20)17-12-6-8-14-7-2-3-9-15(14)17/h2-12H,13H2,1H3
InChIKeySUMFCSCFXZIPSK-UHFFFAOYSA-N
XLogP4.22
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-methyl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-N-methyl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide (CID 5275149) is N-(2-chlorophenyl)-N-methyl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-methyl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-N-methyl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide is CN(C(=O)CSc1nnnn1-c1cccc2ccccc12)c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N-methyl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is SUMFCSCFXZIPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5OS/c1-25(18-11-5-4-10-16(18)21)19(27)13-28-20-22-23-24-26(20)17-12-6-8-14-7-2-3-9-15(14)17/h2-12H,13H2,1H3.
What are the key properties of N-(2-chlorophenyl)-N-methyl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
N-(2-chlorophenyl)-N-methyl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 409.90 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-methyl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 5275149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).