5-bromo-N-(4-cyanooxan-4-yl)thiophene-2-carboxamide

C11H11BrN2O2S — CID 56791272

IUPAC5-bromo-N-(4-cyanooxan-4-yl)thiophene-2-carboxamide
SMILESN#CC1(NC(=O)c2ccc(Br)s2)CCOCC1
InChIInChI=1S/C11H11BrN2O2S/c12-9-2-1-8(17-9)10(15)14-11(7-13)3-5-16-6-4-11/h1-2H,3-6H2,(H,14,15)
InChIKeyXOSLXUOSXYCQIX-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.31
Rot. Bonds2

About 5-bromo-N-(4-cyanooxan-4-yl)thiophene-2-carboxamide

5-bromo-N-(4-cyanooxan-4-yl)thiophene-2-carboxamide (PubChem CID 56791272) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 5-bromo-N-(4-cyanooxan-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-cyanooxan-4-yl)thiophene-2-carboxamide
PubChem CID56791272
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name5-bromo-N-(4-cyanooxan-4-yl)thiophene-2-carboxamide
SMILESN#CC1(NC(=O)c2ccc(Br)s2)CCOCC1
InChIInChI=1S/C11H11BrN2O2S/c12-9-2-1-8(17-9)10(15)14-11(7-13)3-5-16-6-4-11/h1-2H,3-6H2,(H,14,15)
InChIKeyXOSLXUOSXYCQIX-UHFFFAOYSA-N
XLogP2.31
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(1-cyanocyclopentyl)thiophene-2-carboxamide
CID 55029231
2-bromo-N-(4-cyanooxan-4-yl)benzamide
CID 82308733
5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide
CID 55024708
5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide
CID 55021425
N-(1-cyanocyclohexyl)-5-ethylthiophene-2-carboxamide
CID 54940554
N-(4-cyanooxan-4-yl)-3-phenyl-1,2-thiazole-5-carboxamide
CID 127391595
2-[1-[(5-bromothiophene-2-carbonyl)amino]cyclobutyl]acetic acid
CID 79846619
5-bromo-N-morpholin-4-ylthiophene-2-carboxamide
CID 1246814
N-(1-cyano-4-methylcyclohexyl)-5-methylthiophene-2-carboxamide
CID 61120141
1-[(5-bromothiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341656
5-bromo-N-(1-cyanocyclopentyl)-4-methylthiophene-2-carboxamide
CID 79964549
5-bromo-N-(1-cyanocycloheptyl)-4-methylthiophene-2-carboxamide
CID 79964378

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-cyanooxan-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-cyanooxan-4-yl)thiophene-2-carboxamide (CID 56791272) is 5-bromo-N-(4-cyanooxan-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-cyanooxan-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-cyanooxan-4-yl)thiophene-2-carboxamide is N#CC1(NC(=O)c2ccc(Br)s2)CCOCC1.
What is the InChIKey of 5-bromo-N-(4-cyanooxan-4-yl)thiophene-2-carboxamide?
The InChIKey is XOSLXUOSXYCQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c12-9-2-1-8(17-9)10(15)14-11(7-13)3-5-16-6-4-11/h1-2H,3-6H2,(H,14,15).
What are the key properties of 5-bromo-N-(4-cyanooxan-4-yl)thiophene-2-carboxamide?
5-bromo-N-(4-cyanooxan-4-yl)thiophene-2-carboxamide has a molecular weight of 315.19 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-cyanooxan-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 56791272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).