2-[4-[(2-bromophenyl)methoxy]phenyl]ethanethioamide

C15H14BrNOS — CID 24690051

IUPAC2-[4-[(2-bromophenyl)methoxy]phenyl]ethanethioamide
SMILESNC(=S)Cc1ccc(OCc2ccccc2Br)cc1
InChIInChI=1S/C15H14BrNOS/c16-14-4-2-1-3-12(14)10-18-13-7-5-11(6-8-13)9-15(17)19/h1-8H,9-10H2,(H2,17,19)
InChIKeyLUWLSVYRDZCUSK-UHFFFAOYSA-N
MW336.25 g/mol
LogP3.86
Rot. Bonds5

About 2-[4-[(2-bromophenyl)methoxy]phenyl]ethanethioamide

2-[4-[(2-bromophenyl)methoxy]phenyl]ethanethioamide (PubChem CID 24690051) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is 2-[4-[(2-bromophenyl)methoxy]phenyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-[(2-bromophenyl)methoxy]phenyl]ethanethioamide
PubChem CID24690051
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC Name2-[4-[(2-bromophenyl)methoxy]phenyl]ethanethioamide
SMILESNC(=S)Cc1ccc(OCc2ccccc2Br)cc1
InChIInChI=1S/C15H14BrNOS/c16-14-4-2-1-3-12(14)10-18-13-7-5-11(6-8-13)9-15(17)19/h1-8H,9-10H2,(H2,17,19)
InChIKeyLUWLSVYRDZCUSK-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(2-bromophenyl)methoxy]phenyl]ethanimidamide
CID 24709746
2-(4-phenylmethoxyphenyl)ethanethioamide
CID 24702892
4-[(2-bromophenyl)methoxy]phenol
CID 43143380
2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanethioamide
CID 114849176
2-[4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanethioamide
CID 102876786
4-[4-[(2-bromophenyl)methoxy]phenyl]benzonitrile
CID 7670973
[4-[3-[(2-bromophenyl)methoxy]propoxy]phenyl]methanamine
CID 82805144
2-bromo-4-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 83232064
2-[(2-bromophenyl)methoxy]-6-chlorobenzenecarbothioamide
CID 114322938
5-[(2-bromophenyl)methoxy]-2-nitroaniline
CID 106752101
1-bromo-2-[2-(4-bromophenoxy)ethoxymethyl]benzene
CID 82831956
2-bromo-5-[(2-bromophenyl)methoxy]-1,3-dimethylbenzene
CID 107723747

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-bromophenyl)methoxy]phenyl]ethanethioamide?
The IUPAC name of 2-[4-[(2-bromophenyl)methoxy]phenyl]ethanethioamide (CID 24690051) is 2-[4-[(2-bromophenyl)methoxy]phenyl]ethanethioamide.
What is the SMILES notation for 2-[4-[(2-bromophenyl)methoxy]phenyl]ethanethioamide?
The canonical SMILES for 2-[4-[(2-bromophenyl)methoxy]phenyl]ethanethioamide is NC(=S)Cc1ccc(OCc2ccccc2Br)cc1.
What is the InChIKey of 2-[4-[(2-bromophenyl)methoxy]phenyl]ethanethioamide?
The InChIKey is LUWLSVYRDZCUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS/c16-14-4-2-1-3-12(14)10-18-13-7-5-11(6-8-13)9-15(17)19/h1-8H,9-10H2,(H2,17,19).
What are the key properties of 2-[4-[(2-bromophenyl)methoxy]phenyl]ethanethioamide?
2-[4-[(2-bromophenyl)methoxy]phenyl]ethanethioamide has a molecular weight of 336.25 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-bromophenyl)methoxy]phenyl]ethanethioamide is sourced from PubChem (CID 24690051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).