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

C11H9BrClNO2S — CID 106685074

IUPACN-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1ccoc1Cl
InChIInChI=1S/C11H9BrClNO2S/c1-14(5-7-4-9(12)17-6-7)11(15)8-2-3-16-10(8)13/h2-4,6H,5H2,1H3
InChIKeyKHFUNTIACBFOKL-UHFFFAOYSA-N
MW334.62 g/mol
LogP4.03
Rot. Bonds3

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

N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide (PubChem CID 106685074) has the molecular formula C11H9BrClNO2S and a molecular weight of 334.62 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide
PubChem CID106685074
Molecular FormulaC11H9BrClNO2S
Molecular Weight334.62 g/mol
Exact Mass332.92
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1ccoc1Cl
InChIInChI=1S/C11H9BrClNO2S/c1-14(5-7-4-9(12)17-6-7)11(15)8-2-3-16-10(8)13/h2-4,6H,5H2,1H3
InChIKeyKHFUNTIACBFOKL-UHFFFAOYSA-N
XLogP4.03
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.62
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-2,5-dichloro-N-methylbenzamide
CID 47389181
N-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide
CID 81226605
N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide
CID 61394582
N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide
CID 82883457
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-5-sulfanylbenzamide
CID 107025971
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide
CID 106685341
2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
CID 103754914
2-chloro-N-(furan-3-ylmethyl)-N-methylfuran-3-carboxamide
CID 106686601
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide
CID 65307667
4-bromo-N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methylbenzamide
CID 81295413
2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
CID 62186650
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxopyran-3-carboxamide
CID 54987070

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide (CID 106685074) is N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide is CN(Cc1csc(Br)c1)C(=O)c1ccoc1Cl.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide?
The InChIKey is KHFUNTIACBFOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO2S/c1-14(5-7-4-9(12)17-6-7)11(15)8-2-3-16-10(8)13/h2-4,6H,5H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide?
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide has a molecular weight of 334.62 g/mol, XLogP of 4.03, 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]-2-chloro-N-methylfuran-3-carboxamide is sourced from PubChem (CID 106685074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).