4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide

C12H11Br2NOS2 — CID 112726741

IUPAC4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
SMILESCC(Cc1cccs1)NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H11Br2NOS2/c1-7(5-8-3-2-4-17-8)15-12(16)10-6-9(13)11(14)18-10/h2-4,6-7H,5H2,1H3,(H,15,16)
InChIKeyRSNHNZJEYRQNJA-UHFFFAOYSA-N
MW409.17 g/mol
LogP4.70
Rot. Bonds4

About 4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide

4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide (PubChem CID 112726741) has the molecular formula C12H11Br2NOS2 and a molecular weight of 409.17 g/mol. Its IUPAC name is 4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
PubChem CID112726741
Molecular FormulaC12H11Br2NOS2
Molecular Weight409.17 g/mol
Exact Mass406.86
IUPAC Name4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
SMILESCC(Cc1cccs1)NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H11Br2NOS2/c1-7(5-8-3-2-4-17-8)15-12(16)10-6-9(13)11(14)18-10/h2-4,6-7H,5H2,1H3,(H,15,16)
InChIKeyRSNHNZJEYRQNJA-UHFFFAOYSA-N
XLogP4.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.17
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide
CID 80536486
3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79467456
4,5-dibromo-N-(4-methylpentan-2-yl)thiophene-2-carboxamide
CID 80536678
3,4-dihydroxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 103956007
N-(4-amino-4-oxobutan-2-yl)-4,5-dibromothiophene-2-carboxamide
CID 115649755
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
4,5-dibromo-N-(6-methylheptan-2-yl)thiophene-2-carboxamide
CID 71627844
2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 103752713
4-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 43705091
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
2-amino-N-(1-thiophen-2-ylpropan-2-yl)-1,3-benzothiazole-6-carboxamide
CID 65349627
3-chloro-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2330910

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide (CID 112726741) is 4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide is CC(Cc1cccs1)NC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide?
The InChIKey is RSNHNZJEYRQNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NOS2/c1-7(5-8-3-2-4-17-8)15-12(16)10-6-9(13)11(14)18-10/h2-4,6-7H,5H2,1H3,(H,15,16).
What are the key properties of 4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide?
4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide has a molecular weight of 409.17 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 112726741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).