N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide

C13H15BrN2OS — CID 115183388

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide
SMILESCN(CCc1ccc(Br)s1)C(=O)C1(C#N)CCC1
InChIInChI=1S/C13H15BrN2OS/c1-16(8-5-10-3-4-11(14)18-10)12(17)13(9-15)6-2-7-13/h3-4H,2,5-8H2,1H3
InChIKeyFUBGNNYGRVDNFD-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.21
Rot. Bonds4

About N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide

N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide (PubChem CID 115183388) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide
PubChem CID115183388
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide
SMILESCN(CCc1ccc(Br)s1)C(=O)C1(C#N)CCC1
InChIInChI=1S/C13H15BrN2OS/c1-16(8-5-10-3-4-11(14)18-10)12(17)13(9-15)6-2-7-13/h3-4H,2,5-8H2,1H3
InChIKeyFUBGNNYGRVDNFD-UHFFFAOYSA-N
XLogP3.21
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 115183394
1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115183397
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxy-N-methylacetamide
CID 115140158
1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115181721
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2-dimethylpropanamide
CID 115152784
N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide
CID 60678400
1-cyano-N-methyl-N-propylcycloheptane-1-carboxamide
CID 55207638
3-[[2-(5-bromothiophen-2-yl)ethyl-methylamino]methyl]oxetane-3-carbonitrile
CID 115248203
1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide
CID 115181752
1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115181731
1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide
CID 111758296
1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115181749

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide (CID 115183388) is N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide is CN(CCc1ccc(Br)s1)C(=O)C1(C#N)CCC1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide?
The InChIKey is FUBGNNYGRVDNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-16(8-5-10-3-4-11(14)18-10)12(17)13(9-15)6-2-7-13/h3-4H,2,5-8H2,1H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide has a molecular weight of 327.25 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 115183388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).