N-(4-iodo-2,6-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide

C20H18INOS — CID 126189699

IUPACN-(4-iodo-2,6-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide
SMILESCc1cc(I)cc(C)c1NC(=O)CSc1cccc2ccccc12
InChIInChI=1S/C20H18INOS/c1-13-10-16(21)11-14(2)20(13)22-19(23)12-24-18-9-5-7-15-6-3-4-8-17(15)18/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyRZMVMUIEQJSMLZ-UHFFFAOYSA-N
MW447.34 g/mol
LogP5.79
Rot. Bonds4

About N-(4-iodo-2,6-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide

N-(4-iodo-2,6-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide (PubChem CID 126189699) has the molecular formula C20H18INOS and a molecular weight of 447.34 g/mol. Its IUPAC name is N-(4-iodo-2,6-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-iodo-2,6-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide
PubChem CID126189699
Molecular FormulaC20H18INOS
Molecular Weight447.34 g/mol
Exact Mass447.02
IUPAC NameN-(4-iodo-2,6-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide
SMILESCc1cc(I)cc(C)c1NC(=O)CSc1cccc2ccccc12
InChIInChI=1S/C20H18INOS/c1-13-10-16(21)11-14(2)20(13)22-19(23)12-24-18-9-5-7-15-6-3-4-8-17(15)18/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyRZMVMUIEQJSMLZ-UHFFFAOYSA-N
XLogP5.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.34
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4,5-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 126178248
2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylbenzoic acid
CID 4907237
N-(3-bromophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 4237422
N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922768
N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922404
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylsulfanylacetamide
CID 9458317
N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylsulfanylacetamide
CID 9457701
N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922104
2-(1-propylindol-3-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 4185632
N-(4-iodo-2,6-dimethylphenyl)-2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 126013347
N-[4-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide
CID 9457949
2-(2-nitrophenyl)sulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 75476904

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2,6-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide?
The IUPAC name of N-(4-iodo-2,6-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide (CID 126189699) is N-(4-iodo-2,6-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide.
What is the SMILES notation for N-(4-iodo-2,6-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide?
The canonical SMILES for N-(4-iodo-2,6-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide is Cc1cc(I)cc(C)c1NC(=O)CSc1cccc2ccccc12.
What is the InChIKey of N-(4-iodo-2,6-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide?
The InChIKey is RZMVMUIEQJSMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18INOS/c1-13-10-16(21)11-14(2)20(13)22-19(23)12-24-18-9-5-7-15-6-3-4-8-17(15)18/h3-11H,12H2,1-2H3,(H,22,23).
What are the key properties of N-(4-iodo-2,6-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide?
N-(4-iodo-2,6-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide has a molecular weight of 447.34 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2,6-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide is sourced from PubChem (CID 126189699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).