N-[2-[2-(benzenesulfonyl)ethylamino]-2-oxoethyl]-5-bromofuran-2-carboxamide

C15H15BrN2O5S — CID 55734307

IUPACN-[2-[2-(benzenesulfonyl)ethylamino]-2-oxoethyl]-5-bromofuran-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15BrN2O5S/c16-13-7-6-12(23-13)15(20)18-10-14(19)17-8-9-24(21,22)11-4-2-1-3-5-11/h1-7H,8-10H2,(H,17,19)(H,18,20)
InChIKeyACIYQLUAOKXYLU-UHFFFAOYSA-N
MW415.27 g/mol
LogP1.36
Rot. Bonds7

About N-[2-[2-(benzenesulfonyl)ethylamino]-2-oxoethyl]-5-bromofuran-2-carboxamide

N-[2-[2-(benzenesulfonyl)ethylamino]-2-oxoethyl]-5-bromofuran-2-carboxamide (PubChem CID 55734307) has the molecular formula C15H15BrN2O5S and a molecular weight of 415.27 g/mol. Its IUPAC name is N-[2-[2-(benzenesulfonyl)ethylamino]-2-oxoethyl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(benzenesulfonyl)ethylamino]-2-oxoethyl]-5-bromofuran-2-carboxamide
PubChem CID55734307
Molecular FormulaC15H15BrN2O5S
Molecular Weight415.27 g/mol
Exact Mass413.99
IUPAC NameN-[2-[2-(benzenesulfonyl)ethylamino]-2-oxoethyl]-5-bromofuran-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15BrN2O5S/c16-13-7-6-12(23-13)15(20)18-10-14(19)17-8-9-24(21,22)11-4-2-1-3-5-11/h1-7H,8-10H2,(H,17,19)(H,18,20)
InChIKeyACIYQLUAOKXYLU-UHFFFAOYSA-N
XLogP1.36
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide
CID 114618727
5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide
CID 27862886
5-bromo-N-[2-[2-(2,3-dichlorophenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 55866728
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007
5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide
CID 7964359
5-bromo-N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 42909926
2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methylpropanoic acid
CID 61263565
N-[2-(2-anilinoanilino)-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 112809835
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-bromofuran-2-carboxamide
CID 29195593
3-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427115
5-bromo-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]furan-2-carboxamide
CID 51163910
5-bromo-N-[2-(propanoylamino)ethyl]furan-2-carboxamide
CID 108540408

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(benzenesulfonyl)ethylamino]-2-oxoethyl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[2-[2-(benzenesulfonyl)ethylamino]-2-oxoethyl]-5-bromofuran-2-carboxamide (CID 55734307) is N-[2-[2-(benzenesulfonyl)ethylamino]-2-oxoethyl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[2-[2-(benzenesulfonyl)ethylamino]-2-oxoethyl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[2-[2-(benzenesulfonyl)ethylamino]-2-oxoethyl]-5-bromofuran-2-carboxamide is O=C(CNC(=O)c1ccc(Br)o1)NCCS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-[2-(benzenesulfonyl)ethylamino]-2-oxoethyl]-5-bromofuran-2-carboxamide?
The InChIKey is ACIYQLUAOKXYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O5S/c16-13-7-6-12(23-13)15(20)18-10-14(19)17-8-9-24(21,22)11-4-2-1-3-5-11/h1-7H,8-10H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-[2-(benzenesulfonyl)ethylamino]-2-oxoethyl]-5-bromofuran-2-carboxamide?
N-[2-[2-(benzenesulfonyl)ethylamino]-2-oxoethyl]-5-bromofuran-2-carboxamide has a molecular weight of 415.27 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(benzenesulfonyl)ethylamino]-2-oxoethyl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 55734307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).