N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide

C11H10BrNO2S — CID 61394582

IUPACN-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1ccco1
InChIInChI=1S/C11H10BrNO2S/c1-13(6-8-5-10(12)16-7-8)11(14)9-3-2-4-15-9/h2-5,7H,6H2,1H3
InChIKeyGOQIGMKSSZYKTH-UHFFFAOYSA-N
MW300.18 g/mol
LogP3.38
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide

N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide (PubChem CID 61394582) has the molecular formula C11H10BrNO2S and a molecular weight of 300.18 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide
PubChem CID61394582
Molecular FormulaC11H10BrNO2S
Molecular Weight300.18 g/mol
Exact Mass298.96
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1ccco1
InChIInChI=1S/C11H10BrNO2S/c1-13(6-8-5-10(12)16-7-8)11(14)9-3-2-4-15-9/h2-5,7H,6H2,1H3
InChIKeyGOQIGMKSSZYKTH-UHFFFAOYSA-N
XLogP3.38
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide
CID 106685074
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 47389196
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxopyran-3-carboxamide
CID 54987070
N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide
CID 54984032
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide
CID 54983720
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 54984120
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-carboxamide
CID 55046912
N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-6-hydroxy-N-methylbenzamide
CID 104917070
2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
CID 103754914
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide
CID 65307667
N-[(5-bromothiophen-3-yl)methyl]-2,5-dichloro-N-methylbenzamide
CID 47389181
N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide
CID 54983997

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide (CID 61394582) is N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide is CN(Cc1csc(Br)c1)C(=O)c1ccco1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide?
The InChIKey is GOQIGMKSSZYKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2S/c1-13(6-8-5-10(12)16-7-8)11(14)9-3-2-4-15-9/h2-5,7H,6H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide?
N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide has a molecular weight of 300.18 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 61394582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).