N-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropanamide

C20H16ClN5OS — CID 11640160

IUPACN-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropanamide
SMILESO=C(CCSc1nnnn1-c1cccc2ccccc12)Nc1ccccc1Cl
InChIInChI=1S/C20H16ClN5OS/c21-16-9-3-4-10-17(16)22-19(27)12-13-28-20-23-24-25-26(20)18-11-5-7-14-6-1-2-8-15(14)18/h1-11H,12-13H2,(H,22,27)
InChIKeySCBSOLFQXJTDSM-UHFFFAOYSA-N
MW409.90 g/mol
LogP4.59
Rot. Bonds6

About N-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropanamide

N-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropanamide (PubChem CID 11640160) has the molecular formula C20H16ClN5OS and a molecular weight of 409.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropanamide
PubChem CID11640160
Molecular FormulaC20H16ClN5OS
Molecular Weight409.90 g/mol
Exact Mass409.08
IUPAC NameN-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropanamide
SMILESO=C(CCSc1nnnn1-c1cccc2ccccc12)Nc1ccccc1Cl
InChIInChI=1S/C20H16ClN5OS/c21-16-9-3-4-10-17(16)22-19(27)12-13-28-20-23-24-25-26(20)18-11-5-7-14-6-1-2-8-15(14)18/h1-11H,12-13H2,(H,22,27)
InChIKeySCBSOLFQXJTDSM-UHFFFAOYSA-N
XLogP4.59
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropanamide (CID 11640160) is N-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropanamide is O=C(CCSc1nnnn1-c1cccc2ccccc12)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is SCBSOLFQXJTDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5OS/c21-16-9-3-4-10-17(16)22-19(27)12-13-28-20-23-24-25-26(20)18-11-5-7-14-6-1-2-8-15(14)18/h1-11H,12-13H2,(H,22,27).
What are the key properties of N-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropanamide?
N-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 409.90 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 11640160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).