N-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide

C20H18ClNOS — CID 2098696

IUPACN-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2c1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNOS/c21-18-8-5-15(6-9-18)11-12-22-20(23)14-24-19-10-7-16-3-1-2-4-17(16)13-19/h1-10,13H,11-12,14H2,(H,22,23)
InChIKeyMIYUDVVHPRHIHD-UHFFFAOYSA-N
MW355.89 g/mol
LogP4.94
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide

N-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide (PubChem CID 2098696) has the molecular formula C20H18ClNOS and a molecular weight of 355.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide
PubChem CID2098696
Molecular FormulaC20H18ClNOS
Molecular Weight355.89 g/mol
Exact Mass355.08
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2c1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNOS/c21-18-8-5-15(6-9-18)11-12-22-20(23)14-24-19-10-7-16-3-1-2-4-17(16)13-19/h1-10,13H,11-12,14H2,(H,22,23)
InChIKeyMIYUDVVHPRHIHD-UHFFFAOYSA-N
XLogP4.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7630379
N-[3-(4-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 99999193
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide
CID 7976544
N-[2-(4-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 2708663
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2586084
5-[(2-naphthalen-2-ylsulfanylacetyl)amino]pentanoic acid
CID 119235112
1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 840044
3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2634604
N-[2-(3-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 26569763
N-[3-(2-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 99999188
2-tert-butylsulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 78768343

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide (CID 2098696) is N-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide is O=C(CSc1ccc2ccccc2c1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide?
The InChIKey is MIYUDVVHPRHIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNOS/c21-18-8-5-15(6-9-18)11-12-22-20(23)14-24-19-10-7-16-3-1-2-4-17(16)13-19/h1-10,13H,11-12,14H2,(H,22,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide?
N-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide has a molecular weight of 355.89 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide is sourced from PubChem (CID 2098696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).