4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide

C15H17Br2NO3S — CID 52513156

IUPAC4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide
SMILESCC(C)COC[C@H](NC(=O)c1cc(Br)c(Br)s1)c1ccco1
InChIInChI=1S/C15H17Br2NO3S/c1-9(2)7-20-8-11(12-4-3-5-21-12)18-15(19)13-6-10(16)14(17)22-13/h3-6,9,11H,7-8H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyIENGOTUHQVRYPW-NSHDSACASA-N
MW451.18 g/mol
LogP5.01
Rot. Bonds7

About 4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide

4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide (PubChem CID 52513156) has the molecular formula C15H17Br2NO3S and a molecular weight of 451.18 g/mol. Its IUPAC name is 4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide
PubChem CID52513156
Molecular FormulaC15H17Br2NO3S
Molecular Weight451.18 g/mol
Exact Mass448.93
IUPAC Name4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide
SMILESCC(C)COC[C@H](NC(=O)c1cc(Br)c(Br)s1)c1ccco1
InChIInChI=1S/C15H17Br2NO3S/c1-9(2)7-20-8-11(12-4-3-5-21-12)18-15(19)13-6-10(16)14(17)22-13/h3-6,9,11H,7-8H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyIENGOTUHQVRYPW-NSHDSACASA-N
XLogP5.01
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.18
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 17480059
N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-methylfuran-3-carboxamide
CID 95293966
N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 94818587
4,5-dibromo-N-(4-methylpentan-2-yl)thiophene-2-carboxamide
CID 80536678
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyrazine-2-carboxamide
CID 51105520
[(1S)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2450333
4-acetyl-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 95325019
N-[(2S)-1-[[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 95300670
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 166206458
4,5-dibromo-N-(6-methylheptan-2-yl)thiophene-2-carboxamide
CID 71627844
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
CID 138002210
4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 112726741

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide (CID 52513156) is 4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide is CC(C)COC[C@H](NC(=O)c1cc(Br)c(Br)s1)c1ccco1.
What is the InChIKey of 4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide?
The InChIKey is IENGOTUHQVRYPW-NSHDSACASA-N. The full InChI is InChI=1S/C15H17Br2NO3S/c1-9(2)7-20-8-11(12-4-3-5-21-12)18-15(19)13-6-10(16)14(17)22-13/h3-6,9,11H,7-8H2,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide?
4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide has a molecular weight of 451.18 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 52513156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).