2-bromo-N-methyl-N-(1-thiophen-2-ylethyl)furan-3-carboxamide

C12H12BrNO2S — CID 106853561

IUPAC2-bromo-N-methyl-N-(1-thiophen-2-ylethyl)furan-3-carboxamide
SMILESCC(c1cccs1)N(C)C(=O)c1ccoc1Br
InChIInChI=1S/C12H12BrNO2S/c1-8(10-4-3-7-17-10)14(2)12(15)9-5-6-16-11(9)13/h3-8H,1-2H3
InChIKeyXMWQEHVPVBEKJU-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.94
Rot. Bonds3

About 2-bromo-N-methyl-N-(1-thiophen-2-ylethyl)furan-3-carboxamide

2-bromo-N-methyl-N-(1-thiophen-2-ylethyl)furan-3-carboxamide (PubChem CID 106853561) has the molecular formula C12H12BrNO2S and a molecular weight of 314.20 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(1-thiophen-2-ylethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(1-thiophen-2-ylethyl)furan-3-carboxamide
PubChem CID106853561
Molecular FormulaC12H12BrNO2S
Molecular Weight314.20 g/mol
Exact Mass312.98
IUPAC Name2-bromo-N-methyl-N-(1-thiophen-2-ylethyl)furan-3-carboxamide
SMILESCC(c1cccs1)N(C)C(=O)c1ccoc1Br
InChIInChI=1S/C12H12BrNO2S/c1-8(10-4-3-7-17-10)14(2)12(15)9-5-6-16-11(9)13/h3-8H,1-2H3
InChIKeyXMWQEHVPVBEKJU-UHFFFAOYSA-N
XLogP3.94
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 134796514
5-bromo-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 60698580
2-amino-5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 61109023
2-amino-N-methyl-2-thiophen-2-yl-N-(1-thiophen-2-ylethyl)acetamide
CID 115286728
N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide
CID 107025969
3-amino-N-methyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61110711
5-amino-2-(dimethylamino)-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 61110537
2-amino-4-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 63110194
3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 113329880
2-fluoro-4-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 103605936
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
2-bromo-N-cyano-N-methylfuran-3-carboxamide
CID 130615092

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(1-thiophen-2-ylethyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-methyl-N-(1-thiophen-2-ylethyl)furan-3-carboxamide (CID 106853561) is 2-bromo-N-methyl-N-(1-thiophen-2-ylethyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-methyl-N-(1-thiophen-2-ylethyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-methyl-N-(1-thiophen-2-ylethyl)furan-3-carboxamide is CC(c1cccs1)N(C)C(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-methyl-N-(1-thiophen-2-ylethyl)furan-3-carboxamide?
The InChIKey is XMWQEHVPVBEKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2S/c1-8(10-4-3-7-17-10)14(2)12(15)9-5-6-16-11(9)13/h3-8H,1-2H3.
What are the key properties of 2-bromo-N-methyl-N-(1-thiophen-2-ylethyl)furan-3-carboxamide?
2-bromo-N-methyl-N-(1-thiophen-2-ylethyl)furan-3-carboxamide has a molecular weight of 314.20 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(1-thiophen-2-ylethyl)furan-3-carboxamide is sourced from PubChem (CID 106853561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).