N-(2-amino-1-cyclohexylethyl)-2,5-dibromothiophene-3-carboxamide

C13H18Br2N2OS — CID 103807076

IUPACN-(2-amino-1-cyclohexylethyl)-2,5-dibromothiophene-3-carboxamide
SMILESNCC(NC(=O)c1cc(Br)sc1Br)C1CCCCC1
InChIInChI=1S/C13H18Br2N2OS/c14-11-6-9(12(15)19-11)13(18)17-10(7-16)8-4-2-1-3-5-8/h6,8,10H,1-5,7,16H2,(H,17,18)
InChIKeyVNWOMGMAUGERGT-UHFFFAOYSA-N
MW410.18 g/mol
LogP3.91
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-2,5-dibromothiophene-3-carboxamide

N-(2-amino-1-cyclohexylethyl)-2,5-dibromothiophene-3-carboxamide (PubChem CID 103807076) has the molecular formula C13H18Br2N2OS and a molecular weight of 410.18 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2,5-dibromothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2,5-dibromothiophene-3-carboxamide
PubChem CID103807076
Molecular FormulaC13H18Br2N2OS
Molecular Weight410.18 g/mol
Exact Mass407.95
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2,5-dibromothiophene-3-carboxamide
SMILESNCC(NC(=O)c1cc(Br)sc1Br)C1CCCCC1
InChIInChI=1S/C13H18Br2N2OS/c14-11-6-9(12(15)19-11)13(18)17-10(7-16)8-4-2-1-3-5-8/h6,8,10H,1-5,7,16H2,(H,17,18)
InChIKeyVNWOMGMAUGERGT-UHFFFAOYSA-N
XLogP3.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.18
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
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CID 81486052
N-(2-amino-1-cyclopentylethyl)-4-bromo-2-hydroxybenzamide
CID 106737241
N-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide
CID 106737293
N-(2-amino-1-cyclopentylethyl)-3-bromo-2-chlorobenzamide
CID 106737470
N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide
CID 107725268
N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide
CID 81487271
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide
CID 81487660
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
N-(2-amino-1-cyclopentylethyl)-2,5-dimethylfuran-3-carboxamide
CID 106737497
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide
CID 106862320

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2,5-dibromothiophene-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2,5-dibromothiophene-3-carboxamide (CID 103807076) is N-(2-amino-1-cyclohexylethyl)-2,5-dibromothiophene-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2,5-dibromothiophene-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2,5-dibromothiophene-3-carboxamide is NCC(NC(=O)c1cc(Br)sc1Br)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2,5-dibromothiophene-3-carboxamide?
The InChIKey is VNWOMGMAUGERGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2OS/c14-11-6-9(12(15)19-11)13(18)17-10(7-16)8-4-2-1-3-5-8/h6,8,10H,1-5,7,16H2,(H,17,18).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2,5-dibromothiophene-3-carboxamide?
N-(2-amino-1-cyclohexylethyl)-2,5-dibromothiophene-3-carboxamide has a molecular weight of 410.18 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2,5-dibromothiophene-3-carboxamide is sourced from PubChem (CID 103807076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).