N-(3-bromo-4-methoxyphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide

C14H14BrNO2S2 — CID 4612401

IUPACN-(3-bromo-4-methoxyphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCOc1ccc(NC(=O)CSCc2cccs2)cc1Br
InChIInChI=1S/C14H14BrNO2S2/c1-18-13-5-4-10(7-12(13)15)16-14(17)9-19-8-11-3-2-6-20-11/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyCYKBYBCZBHCLRR-UHFFFAOYSA-N
MW372.31 g/mol
LogP4.39
Rot. Bonds6

About N-(3-bromo-4-methoxyphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide

N-(3-bromo-4-methoxyphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide (PubChem CID 4612401) has the molecular formula C14H14BrNO2S2 and a molecular weight of 372.31 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
PubChem CID4612401
Molecular FormulaC14H14BrNO2S2
Molecular Weight372.31 g/mol
Exact Mass370.96
IUPAC NameN-(3-bromo-4-methoxyphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCOc1ccc(NC(=O)CSCc2cccs2)cc1Br
InChIInChI=1S/C14H14BrNO2S2/c1-18-13-5-4-10(7-12(13)15)16-14(17)9-19-8-11-3-2-6-20-11/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyCYKBYBCZBHCLRR-UHFFFAOYSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dibromo-4-methoxyphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 5105273
methyl 4-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzoate
CID 4256520
N-(2,3-dihydro-1H-inden-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8570201
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide
CID 25431782
N-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 4163555
N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60645758
4-butoxy-3-methoxy-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]benzohydrazide
CID 30933321
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 30837668
N-(4-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8569586
2-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-N-(3-methylphenyl)acetamide
CID 8970699
N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79291207
N-(3-bromo-4-methoxyphenyl)-2-(2-hydroxyphenyl)acetamide
CID 78955856

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide (CID 4612401) is N-(3-bromo-4-methoxyphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide is COc1ccc(NC(=O)CSCc2cccs2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The InChIKey is CYKBYBCZBHCLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S2/c1-18-13-5-4-10(7-12(13)15)16-14(17)9-19-8-11-3-2-6-20-11/h2-7H,8-9H2,1H3,(H,16,17).
What are the key properties of N-(3-bromo-4-methoxyphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
N-(3-bromo-4-methoxyphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide has a molecular weight of 372.31 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxyphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 4612401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).