2-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide

C16H17BrN2O2S — CID 46307980

IUPAC2-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2ncc(Br)cc2C)cc1
InChIInChI=1S/C16H17BrN2O2S/c1-3-21-14-6-4-13(5-7-14)19-15(20)10-22-16-11(2)8-12(17)9-18-16/h4-9H,3,10H2,1-2H3,(H,19,20)
InChIKeyYBVOFTAHMDVCPK-UHFFFAOYSA-N
MW381.30 g/mol
LogP4.28
Rot. Bonds6

About 2-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide

2-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 46307980) has the molecular formula C16H17BrN2O2S and a molecular weight of 381.30 g/mol. Its IUPAC name is 2-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
PubChem CID46307980
Molecular FormulaC16H17BrN2O2S
Molecular Weight381.30 g/mol
Exact Mass380.02
IUPAC Name2-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2ncc(Br)cc2C)cc1
InChIInChI=1S/C16H17BrN2O2S/c1-3-21-14-6-4-13(5-7-14)19-15(20)10-22-16-11(2)8-12(17)9-18-16/h4-9H,3,10H2,1-2H3,(H,19,20)
InChIKeyYBVOFTAHMDVCPK-UHFFFAOYSA-N
XLogP4.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7456554
N-(4-bromophenyl)-2-[[4-(4-ethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1005799
2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 1143750
N-(4-ethoxyphenyl)-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19716111
N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 60864053
2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 1143745
methyl 2-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]phenoxy]acetate
CID 55709184
2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 17023191
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 3677104
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
N-(4-ethoxyphenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1150619
N-(4-ethoxyphenyl)-2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 53334287

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide (CID 46307980) is 2-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CSc2ncc(Br)cc2C)cc1.
What is the InChIKey of 2-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is YBVOFTAHMDVCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2S/c1-3-21-14-6-4-13(5-7-14)19-15(20)10-22-16-11(2)8-12(17)9-18-16/h4-9H,3,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
2-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 381.30 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 46307980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).