N-naphthalen-1-yl-2-phenylsulfanylacetamide

C18H15NOS — CID 532048

IUPACN-naphthalen-1-yl-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cccc2ccccc12
InChIInChI=1S/C18H15NOS/c20-18(13-21-15-9-2-1-3-10-15)19-17-12-6-8-14-7-4-5-11-16(14)17/h1-12H,13H2,(H,19,20)
InChIKeyMEJSRRSAWKDLSH-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.57
Rot. Bonds4

About N-naphthalen-1-yl-2-phenylsulfanylacetamide

N-naphthalen-1-yl-2-phenylsulfanylacetamide (PubChem CID 532048) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-phenylsulfanylacetamide
PubChem CID532048
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC NameN-naphthalen-1-yl-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cccc2ccccc12
InChIInChI=1S/C18H15NOS/c20-18(13-21-15-9-2-1-3-10-15)19-17-12-6-8-14-7-4-5-11-16(14)17/h1-12H,13H2,(H,19,20)
InChIKeyMEJSRRSAWKDLSH-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-phenylsulfanylacetamide?
The IUPAC name of N-naphthalen-1-yl-2-phenylsulfanylacetamide (CID 532048) is N-naphthalen-1-yl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-phenylsulfanylacetamide?
The canonical SMILES for N-naphthalen-1-yl-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-2-phenylsulfanylacetamide?
The InChIKey is MEJSRRSAWKDLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c20-18(13-21-15-9-2-1-3-10-15)19-17-12-6-8-14-7-4-5-11-16(14)17/h1-12H,13H2,(H,19,20).
What are the key properties of N-naphthalen-1-yl-2-phenylsulfanylacetamide?
N-naphthalen-1-yl-2-phenylsulfanylacetamide has a molecular weight of 293.39 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-phenylsulfanylacetamide is sourced from PubChem (CID 532048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).