2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-methyl-N-(pyridin-2-ylmethyl)acetamide

C17H19BrN2OS — CID 60559033

IUPAC2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-methyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cc(SCC(=O)N(C)Cc2ccccn2)c(C)cc1Br
InChIInChI=1S/C17H19BrN2OS/c1-12-9-16(13(2)8-15(12)18)22-11-17(21)20(3)10-14-6-4-5-7-19-14/h4-9H,10-11H2,1-3H3
InChIKeyKMIIGIZABBWSOI-UHFFFAOYSA-N
MW379.32 g/mol
LogP4.21
Rot. Bonds5

About 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-methyl-N-(pyridin-2-ylmethyl)acetamide

2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-methyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 60559033) has the molecular formula C17H19BrN2OS and a molecular weight of 379.32 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-methyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-methyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID60559033
Molecular FormulaC17H19BrN2OS
Molecular Weight379.32 g/mol
Exact Mass378.04
IUPAC Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-methyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cc(SCC(=O)N(C)Cc2ccccn2)c(C)cc1Br
InChIInChI=1S/C17H19BrN2OS/c1-12-9-16(13(2)8-15(12)18)22-11-17(21)20(3)10-14-6-4-5-7-19-14/h4-9H,10-11H2,1-3H3
InChIKeyKMIIGIZABBWSOI-UHFFFAOYSA-N
XLogP4.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyridin-2-ylacetamide
CID 154775237
2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 18273296
2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]-methylamino]propanoic acid
CID 62626207
ethyl 3-[methyl(pyridin-2-ylmethyl)amino]-3-oxopropanoate
CID 115138599
4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 63309527
5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide
CID 43565136
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 87041147
N-[(4-bromophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide
CID 112790122
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573336
2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 43565135
2,2-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]-4-oxobutanoic acid
CID 65302187
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112786279

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-methyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-methyl-N-(pyridin-2-ylmethyl)acetamide (CID 60559033) is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-methyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-methyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-methyl-N-(pyridin-2-ylmethyl)acetamide is Cc1cc(SCC(=O)N(C)Cc2ccccn2)c(C)cc1Br.
What is the InChIKey of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-methyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is KMIIGIZABBWSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2OS/c1-12-9-16(13(2)8-15(12)18)22-11-17(21)20(3)10-14-6-4-5-7-19-14/h4-9H,10-11H2,1-3H3.
What are the key properties of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-methyl-N-(pyridin-2-ylmethyl)acetamide?
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-methyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 379.32 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-methyl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 60559033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).