4,5-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)thiophene-2-carboxamide

C15H21Br2NOS — CID 80536614

IUPAC4,5-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)thiophene-2-carboxamide
SMILESCC1CCC(C(C)C)C(NC(=O)c2cc(Br)c(Br)s2)C1
InChIInChI=1S/C15H21Br2NOS/c1-8(2)10-5-4-9(3)6-12(10)18-15(19)13-7-11(16)14(17)20-13/h7-10,12H,4-6H2,1-3H3,(H,18,19)
InChIKeyXIAIAAWUGKVMTB-UHFFFAOYSA-N
MW423.21 g/mol
LogP5.46
Rot. Bonds3

About 4,5-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)thiophene-2-carboxamide

4,5-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)thiophene-2-carboxamide (PubChem CID 80536614) has the molecular formula C15H21Br2NOS and a molecular weight of 423.21 g/mol. Its IUPAC name is 4,5-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)thiophene-2-carboxamide
PubChem CID80536614
Molecular FormulaC15H21Br2NOS
Molecular Weight423.21 g/mol
Exact Mass420.97
IUPAC Name4,5-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)thiophene-2-carboxamide
SMILESCC1CCC(C(C)C)C(NC(=O)c2cc(Br)c(Br)s2)C1
InChIInChI=1S/C15H21Br2NOS/c1-8(2)10-5-4-9(3)6-12(10)18-15(19)13-7-11(16)14(17)20-13/h7-10,12H,4-6H2,1-3H3,(H,18,19)
InChIKeyXIAIAAWUGKVMTB-UHFFFAOYSA-N
XLogP5.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.21
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 107951942
N-(5-methyl-2-propan-2-ylcyclohexyl)thiadiazole-5-carboxamide
CID 47350810
4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide
CID 80536433
5-bromo-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-3-carboxamide
CID 63526340
2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide
CID 6932663
2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 61214396
N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide
CID 126621339
5-chloro-2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 63483142
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
4,5-dibromo-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide
CID 103860399
N-(5-methyl-2-propan-2-ylcyclohexyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47234721

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)thiophene-2-carboxamide (CID 80536614) is 4,5-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)thiophene-2-carboxamide is CC1CCC(C(C)C)C(NC(=O)c2cc(Br)c(Br)s2)C1.
What is the InChIKey of 4,5-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)thiophene-2-carboxamide?
The InChIKey is XIAIAAWUGKVMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2NOS/c1-8(2)10-5-4-9(3)6-12(10)18-15(19)13-7-11(16)14(17)20-13/h7-10,12H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 4,5-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)thiophene-2-carboxamide?
4,5-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)thiophene-2-carboxamide has a molecular weight of 423.21 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)thiophene-2-carboxamide is sourced from PubChem (CID 80536614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).