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

C20H18ClNOS2 — CID 7630379

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2c1)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNOS2/c21-17-6-9-18(10-7-17)24-12-11-22-20(23)14-25-19-8-5-15-3-1-2-4-16(15)13-19/h1-10,13H,11-12,14H2,(H,22,23)
InChIKeyNCKOCQLSTXIAJL-UHFFFAOYSA-N
MW387.96 g/mol
LogP5.49
Rot. Bonds7

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

N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide (PubChem CID 7630379) has the molecular formula C20H18ClNOS2 and a molecular weight of 387.96 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide
PubChem CID7630379
Molecular FormulaC20H18ClNOS2
Molecular Weight387.96 g/mol
Exact Mass387.05
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2c1)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNOS2/c21-17-6-9-18(10-7-17)24-12-11-22-20(23)14-25-19-8-5-15-3-1-2-4-16(15)13-19/h1-10,13H,11-12,14H2,(H,22,23)
InChIKeyNCKOCQLSTXIAJL-UHFFFAOYSA-N
XLogP5.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.96
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 2098696
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
5-[(2-naphthalen-2-ylsulfanylacetyl)amino]pentanoic acid
CID 119235112
1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 840044
4-chloro-N-(2-naphthalen-2-ylsulfanylethyl)aniline
CID 63515810
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-phenylphenyl)acetamide
CID 100514943
2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 62000718
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide
CID 7630283
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 2273690
N-[3-(2-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 99999188
2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 7604280
2-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 9483105

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide (CID 7630379) is N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide is O=C(CSc1ccc2ccccc2c1)NCCSc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide?
The InChIKey is NCKOCQLSTXIAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNOS2/c21-17-6-9-18(10-7-17)24-12-11-22-20(23)14-25-19-8-5-15-3-1-2-4-16(15)13-19/h1-10,13H,11-12,14H2,(H,22,23).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide has a molecular weight of 387.96 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide is sourced from PubChem (CID 7630379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).