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

C10H11Br2NO2S — CID 104578402

IUPAC4,5-dibromo-N-(3-methoxycyclobutyl)thiophene-2-carboxamide
SMILESCOC1CC(NC(=O)c2cc(Br)c(Br)s2)C1
InChIInChI=1S/C10H11Br2NO2S/c1-15-6-2-5(3-6)13-10(14)8-4-7(11)9(12)16-8/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyQUIIDNSNNCBXNX-UHFFFAOYSA-N
MW369.08 g/mol
LogP3.18
Rot. Bonds3

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

4,5-dibromo-N-(3-methoxycyclobutyl)thiophene-2-carboxamide (PubChem CID 104578402) has the molecular formula C10H11Br2NO2S and a molecular weight of 369.08 g/mol. Its IUPAC name is 4,5-dibromo-N-(3-methoxycyclobutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(3-methoxycyclobutyl)thiophene-2-carboxamide
PubChem CID104578402
Molecular FormulaC10H11Br2NO2S
Molecular Weight369.08 g/mol
Exact Mass366.89
IUPAC Name4,5-dibromo-N-(3-methoxycyclobutyl)thiophene-2-carboxamide
SMILESCOC1CC(NC(=O)c2cc(Br)c(Br)s2)C1
InChIInChI=1S/C10H11Br2NO2S/c1-15-6-2-5(3-6)13-10(14)8-4-7(11)9(12)16-8/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyQUIIDNSNNCBXNX-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.08
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-cycloheptylthiophene-2-carboxamide
CID 9217766
2,5-dibromo-N-(3-methoxycyclobutyl)benzamide
CID 104920723
4,5-dibromo-N-(1-cyclopropylpiperidin-4-yl)thiophene-2-carboxamide
CID 112725100
4-bromo-N-(3-methoxycyclobutyl)-1-methylpyrrole-2-carboxamide
CID 104578412
3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide
CID 104578392
4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866520
4,5-dibromo-N-piperidin-3-ylthiophene-2-carboxamide
CID 80537940
(4,5-dibromothiophen-2-yl)-(4-methoxypiperidin-1-yl)methanone
CID 47131293
4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide
CID 80536433
4,5-dibromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 112724292
4,5-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)thiophene-2-carboxamide
CID 80536614
2-bromo-N-(3-methoxycyclobutyl)-5-nitrobenzamide
CID 113428937

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(3-methoxycyclobutyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(3-methoxycyclobutyl)thiophene-2-carboxamide (CID 104578402) is 4,5-dibromo-N-(3-methoxycyclobutyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(3-methoxycyclobutyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(3-methoxycyclobutyl)thiophene-2-carboxamide is COC1CC(NC(=O)c2cc(Br)c(Br)s2)C1.
What is the InChIKey of 4,5-dibromo-N-(3-methoxycyclobutyl)thiophene-2-carboxamide?
The InChIKey is QUIIDNSNNCBXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO2S/c1-15-6-2-5(3-6)13-10(14)8-4-7(11)9(12)16-8/h4-6H,2-3H2,1H3,(H,13,14).
What are the key properties of 4,5-dibromo-N-(3-methoxycyclobutyl)thiophene-2-carboxamide?
4,5-dibromo-N-(3-methoxycyclobutyl)thiophene-2-carboxamide has a molecular weight of 369.08 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(3-methoxycyclobutyl)thiophene-2-carboxamide is sourced from PubChem (CID 104578402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).