3-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)thiophene-2-carboxamide

C12H15BrN2OS — CID 62734954

IUPAC3-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCC(C)CN(CCC#N)C(=O)c1sccc1Br
InChIInChI=1S/C12H15BrN2OS/c1-9(2)8-15(6-3-5-14)12(16)11-10(13)4-7-17-11/h4,7,9H,3,6,8H2,1-2H3
InChIKeyQULDGYFVLALRDW-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.52
Rot. Bonds5

About 3-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)thiophene-2-carboxamide

3-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)thiophene-2-carboxamide (PubChem CID 62734954) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is 3-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)thiophene-2-carboxamide
PubChem CID62734954
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC Name3-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCC(C)CN(CCC#N)C(=O)c1sccc1Br
InChIInChI=1S/C12H15BrN2OS/c1-9(2)8-15(6-3-5-14)12(16)11-10(13)4-7-17-11/h4,7,9H,3,6,8H2,1-2H3
InChIKeyQULDGYFVLALRDW-UHFFFAOYSA-N
XLogP3.52
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide
CID 60654639
3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 60778340
3-[[2-(3-bromothiophen-2-yl)-2-oxoethyl]-methylamino]propanenitrile
CID 62052324
4-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methylpropyl)benzamide
CID 60699445
3-bromo-N,N-dipropylthiophene-2-carboxamide
CID 55028228
N-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 60654474
N-(2-cyanoethyl)-5-ethyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 54940591
4-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)-3-nitrobenzamide
CID 60659981
N-(2-cyanoethyl)-4,5-dimethyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 60656645
N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)benzamide
CID 62180118
3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 113223704
N-(2-cyanoethyl)-2-hydroxy-5-methoxy-N-(2-methylpropyl)benzamide
CID 60715659

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)thiophene-2-carboxamide (CID 62734954) is 3-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)thiophene-2-carboxamide is CC(C)CN(CCC#N)C(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is QULDGYFVLALRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c1-9(2)8-15(6-3-5-14)12(16)11-10(13)4-7-17-11/h4,7,9H,3,6,8H2,1-2H3.
What are the key properties of 3-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)thiophene-2-carboxamide?
3-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 315.24 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 62734954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).