4,5-dibromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-carboxamide

C12H11Br2NO2S — CID 47379906

IUPAC4,5-dibromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1occc1CN(C)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H11Br2NO2S/c1-7-8(3-4-17-7)6-15(2)12(16)10-5-9(13)11(14)18-10/h3-5H,6H2,1-2H3
InChIKeyTXKKKMYXTPXDBA-UHFFFAOYSA-N
MW393.10 g/mol
LogP4.45
Rot. Bonds3

About 4,5-dibromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-carboxamide

4,5-dibromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 47379906) has the molecular formula C12H11Br2NO2S and a molecular weight of 393.10 g/mol. Its IUPAC name is 4,5-dibromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-carboxamide
PubChem CID47379906
Molecular FormulaC12H11Br2NO2S
Molecular Weight393.10 g/mol
Exact Mass390.89
IUPAC Name4,5-dibromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1occc1CN(C)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H11Br2NO2S/c1-7-8(3-4-17-7)6-15(2)12(16)10-5-9(13)11(14)18-10/h3-5H,6H2,1-2H3
InChIKeyTXKKKMYXTPXDBA-UHFFFAOYSA-N
XLogP4.45
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.10
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 78906851
4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 80976057
5-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide
CID 61426704
4,5-dibromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide
CID 2494689
2-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61380894
4,5-dibromo-N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 27824436
4,5-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47180850
5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 102705344
4,5-dibromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 38880738
N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 63049964
3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426906
6-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
CID 66463145

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-carboxamide (CID 47379906) is 4,5-dibromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-carboxamide is Cc1occc1CN(C)C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is TXKKKMYXTPXDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NO2S/c1-7-8(3-4-17-7)6-15(2)12(16)10-5-9(13)11(14)18-10/h3-5H,6H2,1-2H3.
What are the key properties of 4,5-dibromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-carboxamide?
4,5-dibromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 393.10 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 47379906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).