N-(4-bromothiophen-2-yl)-1-cyano-N-methylcyclobutane-1-carboxamide

C11H11BrN2OS — CID 115183276

IUPACN-(4-bromothiophen-2-yl)-1-cyano-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1(C#N)CCC1)c1cc(Br)cs1
InChIInChI=1S/C11H11BrN2OS/c1-14(9-5-8(12)6-16-9)10(15)11(7-13)3-2-4-11/h5-6H,2-4H2,1H3
InChIKeyQPXBFMQZIOKDOM-UHFFFAOYSA-N
MW299.19 g/mol
LogP3.17
Rot. Bonds2

About N-(4-bromothiophen-2-yl)-1-cyano-N-methylcyclobutane-1-carboxamide

N-(4-bromothiophen-2-yl)-1-cyano-N-methylcyclobutane-1-carboxamide (PubChem CID 115183276) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is N-(4-bromothiophen-2-yl)-1-cyano-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromothiophen-2-yl)-1-cyano-N-methylcyclobutane-1-carboxamide
PubChem CID115183276
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC NameN-(4-bromothiophen-2-yl)-1-cyano-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1(C#N)CCC1)c1cc(Br)cs1
InChIInChI=1S/C11H11BrN2OS/c1-14(9-5-8(12)6-16-9)10(15)11(7-13)3-2-4-11/h5-6H,2-4H2,1H3
InChIKeyQPXBFMQZIOKDOM-UHFFFAOYSA-N
XLogP3.17
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-1-cyano-N-methylcyclobutane-1-carboxamide
CID 115183289
N-(4-bromothiophen-2-yl)-2-cyano-N,2-dimethylpropanamide
CID 115175042
N-(3-bromo-4-methoxyphenyl)-1-cyano-N-methylcyclobutane-1-carboxamide
CID 115183261
1-[[(4-bromothiophen-2-yl)-methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246460
N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide
CID 60678400
N-(4-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide
CID 115167064
N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide
CID 115183388
N-(4-bromothiophen-2-yl)-N-methylazetidine-3-carboxamide
CID 115158767
N-(4-bromothiophen-2-yl)-N-methylpiperidine-4-carboxamide
CID 115160004
N-(2-bromo-5-methylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 82706072
N-(4-bromo-2,6-dimethylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 80599432
1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide
CID 105417788

Frequently Asked Questions

What is the IUPAC name of N-(4-bromothiophen-2-yl)-1-cyano-N-methylcyclobutane-1-carboxamide?
The IUPAC name of N-(4-bromothiophen-2-yl)-1-cyano-N-methylcyclobutane-1-carboxamide (CID 115183276) is N-(4-bromothiophen-2-yl)-1-cyano-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-bromothiophen-2-yl)-1-cyano-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-(4-bromothiophen-2-yl)-1-cyano-N-methylcyclobutane-1-carboxamide is CN(C(=O)C1(C#N)CCC1)c1cc(Br)cs1.
What is the InChIKey of N-(4-bromothiophen-2-yl)-1-cyano-N-methylcyclobutane-1-carboxamide?
The InChIKey is QPXBFMQZIOKDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c1-14(9-5-8(12)6-16-9)10(15)11(7-13)3-2-4-11/h5-6H,2-4H2,1H3.
What are the key properties of N-(4-bromothiophen-2-yl)-1-cyano-N-methylcyclobutane-1-carboxamide?
N-(4-bromothiophen-2-yl)-1-cyano-N-methylcyclobutane-1-carboxamide has a molecular weight of 299.19 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromothiophen-2-yl)-1-cyano-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 115183276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).