2-bromo-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide

C10H12BrNO2S — CID 106898564

IUPAC2-bromo-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide
SMILESC=CCSCCNC(=O)c1ccoc1Br
InChIInChI=1S/C10H12BrNO2S/c1-2-6-15-7-4-12-10(13)8-3-5-14-9(8)11/h2-3,5H,1,4,6-7H2,(H,12,13)
InChIKeyWDDVXILYMKXZMU-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.69
Rot. Bonds6

About 2-bromo-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide

2-bromo-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide (PubChem CID 106898564) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 2-bromo-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide
PubChem CID106898564
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name2-bromo-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide
SMILESC=CCSCCNC(=O)c1ccoc1Br
InChIInChI=1S/C10H12BrNO2S/c1-2-6-15-7-4-12-10(13)8-3-5-14-9(8)11/h2-3,5H,1,4,6-7H2,(H,12,13)
InChIKeyWDDVXILYMKXZMU-UHFFFAOYSA-N
XLogP2.69
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide
CID 106812382
2-bromo-N-(3-iodopropyl)furan-3-carboxamide
CID 106856228
2-(methylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106430283
N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide
CID 106852672
3,4-dihydroxy-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 103956768
5-amino-2,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425136
N-(5-amino-5-oxopentyl)-2-bromofuran-3-carboxamide
CID 106899036
4-amino-2-methyl-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425113
2-bromo-N-[3-(ethylamino)propyl]furan-3-carboxamide
CID 106855035
2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide
CID 106852493
2-bromo-N-(2-pyrrol-1-ylethyl)furan-3-carboxamide
CID 106898976
N-(2-prop-2-enylsulfanylethyl)-3-sulfanylbenzamide
CID 106433477

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide (CID 106898564) is 2-bromo-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide is C=CCSCCNC(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide?
The InChIKey is WDDVXILYMKXZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-2-6-15-7-4-12-10(13)8-3-5-14-9(8)11/h2-3,5H,1,4,6-7H2,(H,12,13).
What are the key properties of 2-bromo-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide?
2-bromo-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide has a molecular weight of 290.18 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide is sourced from PubChem (CID 106898564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).