3-bromo-N-[(1R)-1-(furan-2-yl)-3-methoxypropyl]thiophene-2-carboxamide

C13H14BrNO3S — CID 129471505

IUPAC3-bromo-N-[(1R)-1-(furan-2-yl)-3-methoxypropyl]thiophene-2-carboxamide
SMILESCOCC[C@@H](NC(=O)c1sccc1Br)c1ccco1
InChIInChI=1S/C13H14BrNO3S/c1-17-7-4-10(11-3-2-6-18-11)15-13(16)12-9(14)5-8-19-12/h2-3,5-6,8,10H,4,7H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyHCYPVGIREDEJDZ-SNVBAGLBSA-N
MW344.23 g/mol
LogP3.61
Rot. Bonds6

About 3-bromo-N-[(1R)-1-(furan-2-yl)-3-methoxypropyl]thiophene-2-carboxamide

3-bromo-N-[(1R)-1-(furan-2-yl)-3-methoxypropyl]thiophene-2-carboxamide (PubChem CID 129471505) has the molecular formula C13H14BrNO3S and a molecular weight of 344.23 g/mol. Its IUPAC name is 3-bromo-N-[(1R)-1-(furan-2-yl)-3-methoxypropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(1R)-1-(furan-2-yl)-3-methoxypropyl]thiophene-2-carboxamide
PubChem CID129471505
Molecular FormulaC13H14BrNO3S
Molecular Weight344.23 g/mol
Exact Mass342.99
IUPAC Name3-bromo-N-[(1R)-1-(furan-2-yl)-3-methoxypropyl]thiophene-2-carboxamide
SMILESCOCC[C@@H](NC(=O)c1sccc1Br)c1ccco1
InChIInChI=1S/C13H14BrNO3S/c1-17-7-4-10(11-3-2-6-18-11)15-13(16)12-9(14)5-8-19-12/h2-3,5-6,8,10H,4,7H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyHCYPVGIREDEJDZ-SNVBAGLBSA-N
XLogP3.61
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromothiophene-2-carbonyl)amino]-4-methoxybutanoic acid
CID 63804280
N-[1-(furan-2-yl)-3-methoxypropyl]-3-pyridin-4-ylpropanamide
CID 75451734
methyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-methylpentanoate
CID 47234037
3-bromo-N-[(2S,4R)-4-methylhexan-2-yl]thiophene-2-carboxamide
CID 97053966
3-bromo-N-[(2R,4S)-4-methylhexan-2-yl]thiophene-2-carboxamide
CID 97053965
(2S)-2-[(3-bromothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 62034219
3-bromo-N-(1-chloro-4-methylpentan-3-yl)thiophene-2-carboxamide
CID 106354869
(6S)-N-[(1S)-1-(furan-2-yl)-3-methoxypropyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 124890479
4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide
CID 52513156
N-(1-aminobutan-2-yl)-3-bromothiophene-2-carboxamide
CID 65193512
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-bromothiophene-2-carboxamide
CID 77039223
1-(3-bromothiophen-2-yl)-2-(furan-2-yl)ethanone
CID 115795627

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1R)-1-(furan-2-yl)-3-methoxypropyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[(1R)-1-(furan-2-yl)-3-methoxypropyl]thiophene-2-carboxamide (CID 129471505) is 3-bromo-N-[(1R)-1-(furan-2-yl)-3-methoxypropyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(1R)-1-(furan-2-yl)-3-methoxypropyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(1R)-1-(furan-2-yl)-3-methoxypropyl]thiophene-2-carboxamide is COCC[C@@H](NC(=O)c1sccc1Br)c1ccco1.
What is the InChIKey of 3-bromo-N-[(1R)-1-(furan-2-yl)-3-methoxypropyl]thiophene-2-carboxamide?
The InChIKey is HCYPVGIREDEJDZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14BrNO3S/c1-17-7-4-10(11-3-2-6-18-11)15-13(16)12-9(14)5-8-19-12/h2-3,5-6,8,10H,4,7H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 3-bromo-N-[(1R)-1-(furan-2-yl)-3-methoxypropyl]thiophene-2-carboxamide?
3-bromo-N-[(1R)-1-(furan-2-yl)-3-methoxypropyl]thiophene-2-carboxamide has a molecular weight of 344.23 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1R)-1-(furan-2-yl)-3-methoxypropyl]thiophene-2-carboxamide is sourced from PubChem (CID 129471505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).