N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide

C12H12BrNO2S — CID 71690396

IUPACN-[(5-bromofuran-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C12H12BrNO2S/c1-8-5-6-17-11(8)12(15)14(2)7-9-3-4-10(13)16-9/h3-6H,7H2,1-2H3
InChIKeyDQWFXQNYFWEUKO-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.68
Rot. Bonds3

About N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide

N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide (PubChem CID 71690396) has the molecular formula C12H12BrNO2S and a molecular weight of 314.20 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
PubChem CID71690396
Molecular FormulaC12H12BrNO2S
Molecular Weight314.20 g/mol
Exact Mass312.98
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C12H12BrNO2S/c1-8-5-6-17-11(8)12(15)14(2)7-9-3-4-10(13)16-9/h3-6H,7H2,1-2H3
InChIKeyDQWFXQNYFWEUKO-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide
CID 71690397
3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide
CID 107980321
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 54984120
N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 112822749
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide
CID 61108067
N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfanylbenzamide
CID 78868085
3-[(5-bromofuran-2-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62232100
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylbutanamide
CID 64676727
N-[(5-bromofuran-2-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 91938717
N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide
CID 60949729
1-[(5-bromofuran-2-yl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 99699895

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide (CID 71690396) is N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide is Cc1ccsc1C(=O)N(C)Cc1ccc(Br)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide?
The InChIKey is DQWFXQNYFWEUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2S/c1-8-5-6-17-11(8)12(15)14(2)7-9-3-4-10(13)16-9/h3-6H,7H2,1-2H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide?
N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide has a molecular weight of 314.20 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 71690396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).