N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide

C13H12BrNO2S — CID 4279150

IUPACN-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1ccco1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H12BrNO2S/c14-10-3-5-11(6-4-10)15-13(16)9-18-8-12-2-1-7-17-12/h1-7H,8-9H2,(H,15,16)
InChIKeyZKDGBWUFMJQHIA-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.91
Rot. Bonds5

About N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide

N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide (PubChem CID 4279150) has the molecular formula C13H12BrNO2S and a molecular weight of 326.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
PubChem CID4279150
Molecular FormulaC13H12BrNO2S
Molecular Weight326.22 g/mol
Exact Mass324.98
IUPAC NameN-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1ccco1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H12BrNO2S/c14-10-3-5-11(6-4-10)15-13(16)9-18-8-12-2-1-7-17-12/h1-7H,8-9H2,(H,15,16)
InChIKeyZKDGBWUFMJQHIA-UHFFFAOYSA-N
XLogP3.91
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 74225838
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894
N-(4-fluorophenyl)-2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzamide
CID 78812700
N-(3-chloro-4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780784
methyl N-[2-(furan-2-ylmethylsulfanyl)acetyl]carbamate
CID 67704889
1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea
CID 3771523
2-(furan-2-ylmethylsulfanyl)-N-(3-sulfamoylphenyl)acetamide
CID 112780774
N-[2,6-di(propan-2-yl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780802
N-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780738
N-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 56794182
2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide
CID 112780782
methyl 2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzoate
CID 112780982

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide (CID 4279150) is N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide is O=C(CSCc1ccco1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide?
The InChIKey is ZKDGBWUFMJQHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2S/c14-10-3-5-11(6-4-10)15-13(16)9-18-8-12-2-1-7-17-12/h1-7H,8-9H2,(H,15,16).
What are the key properties of N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide?
N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide has a molecular weight of 326.22 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 4279150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).