2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide

C17H18BrNO3S — CID 9102401

IUPAC2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C17H18BrNO3S/c1-3-22-15-9-6-13(10-16(15)21-2)19-17(20)11-23-14-7-4-12(18)5-8-14/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyXHYASLGFQLNOLA-UHFFFAOYSA-N
MW396.31 g/mol
LogP4.59
Rot. Bonds7

About 2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide

2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide (PubChem CID 9102401) has the molecular formula C17H18BrNO3S and a molecular weight of 396.31 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide
PubChem CID9102401
Molecular FormulaC17H18BrNO3S
Molecular Weight396.31 g/mol
Exact Mass395.02
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C17H18BrNO3S/c1-3-22-15-9-6-13(10-16(15)21-2)19-17(20)11-23-14-7-4-12(18)5-8-14/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyXHYASLGFQLNOLA-UHFFFAOYSA-N
XLogP4.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxy-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 86845710
N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500878
4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide
CID 9102895
2-(4-bromoanilino)-N-(3,4-diethoxyphenyl)acetamide
CID 9080322
2-amino-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 43708125
N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide
CID 18072376
2-(cyanomethylsulfanyl)-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 43069150
2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4,5-dimethoxybenzoic acid
CID 24991816
5-bromo-N-(4-ethoxy-3-methoxyphenyl)pyridine-2-carboxamide
CID 62952861
2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 28635923
2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 2682877
2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 2303718

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide (CID 9102401) is 2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide is CCOc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1OC.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide?
The InChIKey is XHYASLGFQLNOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3S/c1-3-22-15-9-6-13(10-16(15)21-2)19-17(20)11-23-14-7-4-12(18)5-8-14/h4-10H,3,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide has a molecular weight of 396.31 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide is sourced from PubChem (CID 9102401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).