5-bromo-N-[(4-ethylsulfanylphenyl)methyl]furan-2-carboxamide

C14H14BrNO2S — CID 110794530

IUPAC5-bromo-N-[(4-ethylsulfanylphenyl)methyl]furan-2-carboxamide
SMILESCCSc1ccc(CNC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C14H14BrNO2S/c1-2-19-11-5-3-10(4-6-11)9-16-14(17)12-7-8-13(15)18-12/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyKVTAGHWLOMINTC-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.08
Rot. Bonds5

About 5-bromo-N-[(4-ethylsulfanylphenyl)methyl]furan-2-carboxamide

5-bromo-N-[(4-ethylsulfanylphenyl)methyl]furan-2-carboxamide (PubChem CID 110794530) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 5-bromo-N-[(4-ethylsulfanylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-ethylsulfanylphenyl)methyl]furan-2-carboxamide
PubChem CID110794530
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name5-bromo-N-[(4-ethylsulfanylphenyl)methyl]furan-2-carboxamide
SMILESCCSc1ccc(CNC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C14H14BrNO2S/c1-2-19-11-5-3-10(4-6-11)9-16-14(17)12-7-8-13(15)18-12/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyKVTAGHWLOMINTC-UHFFFAOYSA-N
XLogP4.08
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[[4-(butanoylamino)phenyl]methyl]furan-2-carboxamide
CID 55781738
5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 7978577
N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide
CID 110784543
5-bromo-N-[2-(propanoylamino)ethyl]furan-2-carboxamide
CID 108540408
5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 27839121
5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 750404
5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 39891817
5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 2539105
5-bromo-N-(2-ethylsulfanylphenyl)furan-2-carboxamide
CID 47310866
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
5-bromo-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119505166
5-bromo-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]furan-2-carboxamide
CID 55708979

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-ethylsulfanylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(4-ethylsulfanylphenyl)methyl]furan-2-carboxamide (CID 110794530) is 5-bromo-N-[(4-ethylsulfanylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-ethylsulfanylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-ethylsulfanylphenyl)methyl]furan-2-carboxamide is CCSc1ccc(CNC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-[(4-ethylsulfanylphenyl)methyl]furan-2-carboxamide?
The InChIKey is KVTAGHWLOMINTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-2-19-11-5-3-10(4-6-11)9-16-14(17)12-7-8-13(15)18-12/h3-8H,2,9H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[(4-ethylsulfanylphenyl)methyl]furan-2-carboxamide?
5-bromo-N-[(4-ethylsulfanylphenyl)methyl]furan-2-carboxamide has a molecular weight of 340.24 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-ethylsulfanylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 110794530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).