5-bromo-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]furan-2-carboxamide

C13H13BrN2O3S — CID 41088369

IUPAC5-bromo-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1cccs1
InChIInChI=1S/C13H13BrN2O3S/c1-8(10-3-2-6-20-10)16-12(17)7-15-13(18)9-4-5-11(14)19-9/h2-6,8H,7H2,1H3,(H,15,18)(H,16,17)/t8-/m0/s1
InChIKeyHJSMOPGBDVAFAU-QMMMGPOBSA-N
MW357.23 g/mol
LogP2.71
Rot. Bonds5

About 5-bromo-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]furan-2-carboxamide

5-bromo-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]furan-2-carboxamide (PubChem CID 41088369) has the molecular formula C13H13BrN2O3S and a molecular weight of 357.23 g/mol. Its IUPAC name is 5-bromo-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]furan-2-carboxamide
PubChem CID41088369
Molecular FormulaC13H13BrN2O3S
Molecular Weight357.23 g/mol
Exact Mass355.98
IUPAC Name5-bromo-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1cccs1
InChIInChI=1S/C13H13BrN2O3S/c1-8(10-3-2-6-20-10)16-12(17)7-15-13(18)9-4-5-11(14)19-9/h2-6,8H,7H2,1H3,(H,15,18)(H,16,17)/t8-/m0/s1
InChIKeyHJSMOPGBDVAFAU-QMMMGPOBSA-N
XLogP2.71
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]furan-2-carboxamide with MolForge

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Related Compounds

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
5-bromo-N-(1-thiophen-2-ylbutyl)furan-2-carboxamide
CID 61380869
methyl 3-[(5-bromofuran-2-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 46515294
5-bromo-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 65309872
5-bromo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide
CID 34981283
5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
CID 64997202
5-bromo-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide
CID 35043440
(2S)-2-amino-3-methyl-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]butanamide
CID 82961932
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)furan-2-carboxamide
CID 78962266
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]furan-2-carboxamide (CID 41088369) is 5-bromo-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]furan-2-carboxamide is C[C@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1cccs1.
What is the InChIKey of 5-bromo-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is HJSMOPGBDVAFAU-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H13BrN2O3S/c1-8(10-3-2-6-20-10)16-12(17)7-15-13(18)9-4-5-11(14)19-9/h2-6,8H,7H2,1H3,(H,15,18)(H,16,17)/t8-/m0/s1.
What are the key properties of 5-bromo-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]furan-2-carboxamide?
5-bromo-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 357.23 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 41088369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).