2-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide

C17H17BrN2O3S — CID 8969240

IUPAC2-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide
SMILESCOc1ccc(Br)cc1CSCC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C17H17BrN2O3S/c1-23-15-7-6-12(18)8-11(15)9-24-10-16(21)20-14-5-3-2-4-13(14)17(19)22/h2-8H,9-10H2,1H3,(H2,19,22)(H,20,21)
InChIKeyJCGODKBHTVTZJV-UHFFFAOYSA-N
MW409.31 g/mol
LogP3.43
Rot. Bonds7

About 2-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide

2-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide (PubChem CID 8969240) has the molecular formula C17H17BrN2O3S and a molecular weight of 409.31 g/mol. Its IUPAC name is 2-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide
PubChem CID8969240
Molecular FormulaC17H17BrN2O3S
Molecular Weight409.31 g/mol
Exact Mass408.01
IUPAC Name2-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide
SMILESCOc1ccc(Br)cc1CSCC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C17H17BrN2O3S/c1-23-15-7-6-12(18)8-11(15)9-24-10-16(21)20-14-5-3-2-4-13(14)17(19)22/h2-8H,9-10H2,1H3,(H2,19,22)(H,20,21)
InChIKeyJCGODKBHTVTZJV-UHFFFAOYSA-N
XLogP3.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-phenylacetamide
CID 8968994
N-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966479
2-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 126032735
N-(4-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8965927
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 958766
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 46799772
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
CID 8574543
methyl 3-(2-carbamoylanilino)-3-oxopropanoate
CID 25049818
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1251511
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 7500273
4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide
CID 8966272
N-(5-bromo-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 55905124

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide (CID 8969240) is 2-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide is COc1ccc(Br)cc1CSCC(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide?
The InChIKey is JCGODKBHTVTZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3S/c1-23-15-7-6-12(18)8-11(15)9-24-10-16(21)20-14-5-3-2-4-13(14)17(19)22/h2-8H,9-10H2,1H3,(H2,19,22)(H,20,21).
What are the key properties of 2-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide?
2-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide has a molecular weight of 409.31 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 8969240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).