2-bromo-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide

C14H16BrNO2S — CID 55125927

IUPAC2-bromo-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCCC(Br)C(=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C14H16BrNO2S/c1-2-13(15)14(17)16(9-11-5-3-7-18-11)10-12-6-4-8-19-12/h3-8,13H,2,9-10H2,1H3
InChIKeyXISPIXPQUZLGBQ-UHFFFAOYSA-N
MW342.26 g/mol
LogP4.04
Rot. Bonds6

About 2-bromo-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide

2-bromo-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 55125927) has the molecular formula C14H16BrNO2S and a molecular weight of 342.26 g/mol. Its IUPAC name is 2-bromo-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
PubChem CID55125927
Molecular FormulaC14H16BrNO2S
Molecular Weight342.26 g/mol
Exact Mass341.01
IUPAC Name2-bromo-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCCC(Br)C(=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C14H16BrNO2S/c1-2-13(15)14(17)16(9-11-5-3-7-18-11)10-12-6-4-8-19-12/h3-8,13H,2,9-10H2,1H3
InChIKeyXISPIXPQUZLGBQ-UHFFFAOYSA-N
XLogP4.04
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869064
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
(2R)-2-amino-N-(furan-2-ylmethyl)-4-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 104903002
(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide
CID 71627874
(2S)-2-amino-N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
CID 61164432
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843
3-(ethylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 62839379
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78789091
N-(furan-2-ylmethyl)-4-hydroxy-N-(thiophen-2-ylmethyl)butanamide
CID 79203775
N,N-bis(furan-2-ylmethyl)thiophene-2-carboxamide
CID 52548112
2-bromo-3-methyl-N,N-bis(thiophen-2-ylmethyl)butanamide
CID 60953324

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 2-bromo-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide (CID 55125927) is 2-bromo-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 2-bromo-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 2-bromo-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide is CCC(Br)C(=O)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 2-bromo-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is XISPIXPQUZLGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S/c1-2-13(15)14(17)16(9-11-5-3-7-18-11)10-12-6-4-8-19-12/h3-8,13H,2,9-10H2,1H3.
What are the key properties of 2-bromo-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
2-bromo-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 342.26 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 55125927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).