N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide

C19H16ClNO2S — CID 39922104

IUPACN-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2cccc3ccccc23)cc1Cl
InChIInChI=1S/C19H16ClNO2S/c1-23-17-10-9-14(11-16(17)20)21-19(22)12-24-18-8-4-6-13-5-2-3-7-15(13)18/h2-11H,12H2,1H3,(H,21,22)
InChIKeyZCPWXPXCNXRVOK-UHFFFAOYSA-N
MW357.86 g/mol
LogP5.23
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide

N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide (PubChem CID 39922104) has the molecular formula C19H16ClNO2S and a molecular weight of 357.86 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide
PubChem CID39922104
Molecular FormulaC19H16ClNO2S
Molecular Weight357.86 g/mol
Exact Mass357.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2cccc3ccccc23)cc1Cl
InChIInChI=1S/C19H16ClNO2S/c1-23-17-10-9-14(11-16(17)20)21-19(22)12-24-18-8-4-6-13-5-2-3-7-15(13)18/h2-11H,12H2,1H3,(H,21,22)
InChIKeyZCPWXPXCNXRVOK-UHFFFAOYSA-N
XLogP5.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.86
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922768
N-(3-chloro-4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145571
N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 16567918
2-(1-bromonaphthalen-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 5172629
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 2978975
N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 51891778
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 7555394
N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide
CID 30144590
N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 972558
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate
CID 27065875
N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 24628688
N-(3-bromophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 4237422

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide (CID 39922104) is N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide is COc1ccc(NC(=O)CSc2cccc3ccccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide?
The InChIKey is ZCPWXPXCNXRVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2S/c1-23-17-10-9-14(11-16(17)20)21-19(22)12-24-18-8-4-6-13-5-2-3-7-15(13)18/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide?
N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide has a molecular weight of 357.86 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide is sourced from PubChem (CID 39922104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).