4,5-dibromo-N-cycloheptylthiophene-2-carboxamide

C12H15Br2NOS — CID 9217766

IUPAC4,5-dibromo-N-cycloheptylthiophene-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H15Br2NOS/c13-9-7-10(17-11(9)14)12(16)15-8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H,15,16)
InChIKeyPTMZIHLKYFGVFO-UHFFFAOYSA-N
MW381.13 g/mol
LogP4.73
Rot. Bonds2

About 4,5-dibromo-N-cycloheptylthiophene-2-carboxamide

4,5-dibromo-N-cycloheptylthiophene-2-carboxamide (PubChem CID 9217766) has the molecular formula C12H15Br2NOS and a molecular weight of 381.13 g/mol. Its IUPAC name is 4,5-dibromo-N-cycloheptylthiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-cycloheptylthiophene-2-carboxamide
PubChem CID9217766
Molecular FormulaC12H15Br2NOS
Molecular Weight381.13 g/mol
Exact Mass378.92
IUPAC Name4,5-dibromo-N-cycloheptylthiophene-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H15Br2NOS/c13-9-7-10(17-11(9)14)12(16)15-8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H,15,16)
InChIKeyPTMZIHLKYFGVFO-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide
CID 79998727
4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866520
4,5-dibromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide
CID 115306468
4,5-dibromo-N-piperidin-3-ylthiophene-2-carboxamide
CID 80537940
4,5-dibromo-N-(1-cyclopropylpiperidin-4-yl)thiophene-2-carboxamide
CID 112725100
4,5-dibromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 112724292
4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide
CID 78906806
4,5-dibromo-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide
CID 103860399
4,5-dibromo-N-(3-methoxycyclobutyl)thiophene-2-carboxamide
CID 104578402
4,5-dibromo-N-[2-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 26905641
4-bromo-N-cyclopentylthiophene-2-carboxamide
CID 110763431
4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide
CID 80536433

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-cycloheptylthiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-cycloheptylthiophene-2-carboxamide (CID 9217766) is 4,5-dibromo-N-cycloheptylthiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-cycloheptylthiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-cycloheptylthiophene-2-carboxamide is O=C(NC1CCCCCC1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-cycloheptylthiophene-2-carboxamide?
The InChIKey is PTMZIHLKYFGVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NOS/c13-9-7-10(17-11(9)14)12(16)15-8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H,15,16).
What are the key properties of 4,5-dibromo-N-cycloheptylthiophene-2-carboxamide?
4,5-dibromo-N-cycloheptylthiophene-2-carboxamide has a molecular weight of 381.13 g/mol, XLogP of 4.73, 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-cycloheptylthiophene-2-carboxamide is sourced from PubChem (CID 9217766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).