2-(1-bromonaphthalen-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide

C20H18BrNO3S — CID 5172629

IUPAC2-(1-bromonaphthalen-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2ccc3ccccc3c2Br)cc1OC
InChIInChI=1S/C20H18BrNO3S/c1-24-16-9-8-14(11-17(16)25-2)22-19(23)12-26-18-10-7-13-5-3-4-6-15(13)20(18)21/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyVPRZKMXKZIBZRZ-UHFFFAOYSA-N
MW432.34 g/mol
LogP5.35
Rot. Bonds6

About 2-(1-bromonaphthalen-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide

2-(1-bromonaphthalen-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 5172629) has the molecular formula C20H18BrNO3S and a molecular weight of 432.34 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID5172629
Molecular FormulaC20H18BrNO3S
Molecular Weight432.34 g/mol
Exact Mass431.02
IUPAC Name2-(1-bromonaphthalen-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2ccc3ccccc3c2Br)cc1OC
InChIInChI=1S/C20H18BrNO3S/c1-24-16-9-8-14(11-17(16)25-2)22-19(23)12-26-18-10-7-13-5-3-4-6-15(13)20(18)21/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyVPRZKMXKZIBZRZ-UHFFFAOYSA-N
XLogP5.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.34
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500878
N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922104
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708642
N-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 4163555
N-(3,4-dimethoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 9082418
methyl 2-[[2-(1-bromonaphthalen-2-yl)sulfanylacetyl]amino]-3-(3-methoxy-4-methylphenyl)propanoate
CID 171642076
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)sulfanylacetate
CID 2371763
2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 9102401
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-(3-chlorophenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 26086320
N-(3-hydroxy-4-methoxyphenyl)-2-phenylsulfanylacetamide
CID 7974901
N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763592

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide (CID 5172629) is 2-(1-bromonaphthalen-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2ccc3ccccc3c2Br)cc1OC.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is VPRZKMXKZIBZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO3S/c1-24-16-9-8-14(11-17(16)25-2)22-19(23)12-26-18-10-7-13-5-3-4-6-15(13)20(18)21/h3-11H,12H2,1-2H3,(H,22,23).
What are the key properties of 2-(1-bromonaphthalen-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide?
2-(1-bromonaphthalen-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 432.34 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 5172629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).