4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide

C12H15Br2NOS — CID 80536433

IUPAC4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc(Br)c(Br)s2)C1C
InChIInChI=1S/C12H15Br2NOS/c1-6-3-4-9(7(6)2)15-12(16)10-5-8(13)11(14)17-10/h5-7,9H,3-4H2,1-2H3,(H,15,16)
InChIKeyCMLYDELHKSURCL-UHFFFAOYSA-N
MW381.13 g/mol
LogP4.44
Rot. Bonds2

About 4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide

4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide (PubChem CID 80536433) has the molecular formula C12H15Br2NOS and a molecular weight of 381.13 g/mol. Its IUPAC name is 4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide
PubChem CID80536433
Molecular FormulaC12H15Br2NOS
Molecular Weight381.13 g/mol
Exact Mass378.92
IUPAC Name4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc(Br)c(Br)s2)C1C
InChIInChI=1S/C12H15Br2NOS/c1-6-3-4-9(7(6)2)15-12(16)10-5-8(13)11(14)17-10/h5-7,9H,3-4H2,1-2H3,(H,15,16)
InChIKeyCMLYDELHKSURCL-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.13
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide
CID 79999575
4,5-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)thiophene-2-carboxamide
CID 80536614
4,5-dibromo-N-cycloheptylthiophene-2-carboxamide
CID 9217766
4,5-dibromo-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide
CID 103860399
4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide
CID 64920634
4,5-dibromo-N-piperidin-3-ylthiophene-2-carboxamide
CID 80537940
4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866520
5-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120557472
4,5-dibromo-N-(2,6-dimethylpiperidin-1-yl)thiophene-2-carboxamide
CID 78906618
4,5-dibromo-N-(3-methoxycyclobutyl)thiophene-2-carboxamide
CID 104578402
4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide
CID 79036871
4,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-2-carboxamide
CID 80536565

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide (CID 80536433) is 4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide is CC1CCC(NC(=O)c2cc(Br)c(Br)s2)C1C.
What is the InChIKey of 4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide?
The InChIKey is CMLYDELHKSURCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NOS/c1-6-3-4-9(7(6)2)15-12(16)10-5-8(13)11(14)17-10/h5-7,9H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide?
4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide has a molecular weight of 381.13 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide is sourced from PubChem (CID 80536433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).