5-bromo-N-(furan-3-ylmethyl)-4-methylthiophene-2-carboxamide

C11H10BrNO2S — CID 115683147

IUPAC5-bromo-N-(furan-3-ylmethyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccoc2)sc1Br
InChIInChI=1S/C11H10BrNO2S/c1-7-4-9(16-10(7)12)11(14)13-5-8-2-3-15-6-8/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyRTHVNWPDGIVFMM-UHFFFAOYSA-N
MW300.18 g/mol
LogP3.34
Rot. Bonds3

About 5-bromo-N-(furan-3-ylmethyl)-4-methylthiophene-2-carboxamide

5-bromo-N-(furan-3-ylmethyl)-4-methylthiophene-2-carboxamide (PubChem CID 115683147) has the molecular formula C11H10BrNO2S and a molecular weight of 300.18 g/mol. Its IUPAC name is 5-bromo-N-(furan-3-ylmethyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(furan-3-ylmethyl)-4-methylthiophene-2-carboxamide
PubChem CID115683147
Molecular FormulaC11H10BrNO2S
Molecular Weight300.18 g/mol
Exact Mass298.96
IUPAC Name5-bromo-N-(furan-3-ylmethyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccoc2)sc1Br
InChIInChI=1S/C11H10BrNO2S/c1-7-4-9(16-10(7)12)11(14)13-5-8-2-3-15-6-8/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyRTHVNWPDGIVFMM-UHFFFAOYSA-N
XLogP3.34
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-methyl-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide
CID 79986981
5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide
CID 79987282
5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-carboxamide
CID 79929368
2-[2-[[(5-bromo-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]acetic acid
CID 81313381
N-(furan-3-ylmethyl)-2-methylbenzamide
CID 47285303
5-bromo-N-(2-bromopropyl)-4-methylthiophene-2-carboxamide
CID 114308613
5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide
CID 114296326
5-bromo-2-chloro-N-(furan-3-ylmethyl)benzamide
CID 47204861
5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-2-carboxamide
CID 79965240
5-bromo-4-methyl-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide
CID 79929799
5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide
CID 79989675
5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide
CID 115364639

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(furan-3-ylmethyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(furan-3-ylmethyl)-4-methylthiophene-2-carboxamide (CID 115683147) is 5-bromo-N-(furan-3-ylmethyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(furan-3-ylmethyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(furan-3-ylmethyl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NCc2ccoc2)sc1Br.
What is the InChIKey of 5-bromo-N-(furan-3-ylmethyl)-4-methylthiophene-2-carboxamide?
The InChIKey is RTHVNWPDGIVFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2S/c1-7-4-9(16-10(7)12)11(14)13-5-8-2-3-15-6-8/h2-4,6H,5H2,1H3,(H,13,14).
What are the key properties of 5-bromo-N-(furan-3-ylmethyl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(furan-3-ylmethyl)-4-methylthiophene-2-carboxamide has a molecular weight of 300.18 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(furan-3-ylmethyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 115683147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).