4,5-dibromo-N-(dicyclopropylmethyl)thiophene-2-carboxamide

C12H13Br2NOS — CID 31030719

IUPAC4,5-dibromo-N-(dicyclopropylmethyl)thiophene-2-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H13Br2NOS/c13-8-5-9(17-11(8)14)12(16)15-10(6-1-2-6)7-3-4-7/h5-7,10H,1-4H2,(H,15,16)
InChIKeyLJBBJERWFWLTTA-UHFFFAOYSA-N
MW379.12 g/mol
LogP4.19
Rot. Bonds4

About 4,5-dibromo-N-(dicyclopropylmethyl)thiophene-2-carboxamide

4,5-dibromo-N-(dicyclopropylmethyl)thiophene-2-carboxamide (PubChem CID 31030719) has the molecular formula C12H13Br2NOS and a molecular weight of 379.12 g/mol. Its IUPAC name is 4,5-dibromo-N-(dicyclopropylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(dicyclopropylmethyl)thiophene-2-carboxamide
PubChem CID31030719
Molecular FormulaC12H13Br2NOS
Molecular Weight379.12 g/mol
Exact Mass376.91
IUPAC Name4,5-dibromo-N-(dicyclopropylmethyl)thiophene-2-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H13Br2NOS/c13-8-5-9(17-11(8)14)12(16)15-10(6-1-2-6)7-3-4-7/h5-7,10H,1-4H2,(H,15,16)
InChIKeyLJBBJERWFWLTTA-UHFFFAOYSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.12
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-carboxamide
CID 112723097
4-amino-N-(dicyclopropylmethyl)-5-methylthiophene-2-carboxamide
CID 54959114
4,5-dibromo-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 80534165
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5-dibromothiophene-2-carboxamide
CID 98074257
4,5-dibromo-N-cycloheptylthiophene-2-carboxamide
CID 9217766
(2S)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 61136905
4,5-dibromo-N-(4-methylpentan-2-yl)thiophene-2-carboxamide
CID 80536678
N-(4-amino-4-oxobutan-2-yl)-4,5-dibromothiophene-2-carboxamide
CID 115649755
4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide
CID 79036871
4,5-dibromothiophene-2-carbonyl bromide
CID 15753564
N-(dicyclopropylmethyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 30372793
4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 17480059

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(dicyclopropylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(dicyclopropylmethyl)thiophene-2-carboxamide (CID 31030719) is 4,5-dibromo-N-(dicyclopropylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(dicyclopropylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(dicyclopropylmethyl)thiophene-2-carboxamide is O=C(NC(C1CC1)C1CC1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(dicyclopropylmethyl)thiophene-2-carboxamide?
The InChIKey is LJBBJERWFWLTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NOS/c13-8-5-9(17-11(8)14)12(16)15-10(6-1-2-6)7-3-4-7/h5-7,10H,1-4H2,(H,15,16).
What are the key properties of 4,5-dibromo-N-(dicyclopropylmethyl)thiophene-2-carboxamide?
4,5-dibromo-N-(dicyclopropylmethyl)thiophene-2-carboxamide has a molecular weight of 379.12 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(dicyclopropylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 31030719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).