N-(2-bromocyclohexyl)-N,5-dimethylthiophene-2-carboxamide

C13H18BrNOS — CID 102638491

IUPACN-(2-bromocyclohexyl)-N,5-dimethylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(C)C2CCCCC2Br)s1
InChIInChI=1S/C13H18BrNOS/c1-9-7-8-12(17-9)13(16)15(2)11-6-4-3-5-10(11)14/h7-8,10-11H,3-6H2,1-2H3
InChIKeyYUVJJBZTRFGUBH-UHFFFAOYSA-N
MW316.26 g/mol
LogP3.83
Rot. Bonds2

About N-(2-bromocyclohexyl)-N,5-dimethylthiophene-2-carboxamide

N-(2-bromocyclohexyl)-N,5-dimethylthiophene-2-carboxamide (PubChem CID 102638491) has the molecular formula C13H18BrNOS and a molecular weight of 316.26 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-N,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-N,5-dimethylthiophene-2-carboxamide
PubChem CID102638491
Molecular FormulaC13H18BrNOS
Molecular Weight316.26 g/mol
Exact Mass315.03
IUPAC NameN-(2-bromocyclohexyl)-N,5-dimethylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(C)C2CCCCC2Br)s1
InChIInChI=1S/C13H18BrNOS/c1-9-7-8-12(17-9)13(16)15(2)11-6-4-3-5-10(11)14/h7-8,10-11H,3-6H2,1-2H3
InChIKeyYUVJJBZTRFGUBH-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromocyclohexyl)-5-ethyl-N-methylthiophene-2-carboxamide
CID 102638346
4-bromo-N-(2-bromocyclohexyl)-N,2-dimethylbenzamide
CID 102638460
N-(2-bromocyclohexyl)-N,2-dimethyl-1,3-thiazole-4-carboxamide
CID 102638539
N-(2-bromocyclohexyl)-2-iodo-N-methylbenzamide
CID 102638355
N-(2-hydroxycyclohexyl)-N-methyl-5-nitrothiophene-2-carboxamide
CID 102634684
5-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiophene-2-carboxamide
CID 102634720
N-(2-bromocyclohexyl)-N-methylacetamide
CID 102638316
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,5-dimethylthiophene-2-carboxamide
CID 79112494
N-(2-bromocyclohexyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 114039940
N-(2-bromocyclohexyl)-2-ethyl-N-methylfuran-3-carboxamide
CID 114103998
N-(2-bromocyclohexyl)-2-fluoro-6-methoxy-N-methylbenzamide
CID 102638292
N-(2-bromocyclohexyl)-2,4-dimethoxy-N-methylbenzamide
CID 102638374

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-N,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(2-bromocyclohexyl)-N,5-dimethylthiophene-2-carboxamide (CID 102638491) is N-(2-bromocyclohexyl)-N,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-N,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-bromocyclohexyl)-N,5-dimethylthiophene-2-carboxamide is Cc1ccc(C(=O)N(C)C2CCCCC2Br)s1.
What is the InChIKey of N-(2-bromocyclohexyl)-N,5-dimethylthiophene-2-carboxamide?
The InChIKey is YUVJJBZTRFGUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNOS/c1-9-7-8-12(17-9)13(16)15(2)11-6-4-3-5-10(11)14/h7-8,10-11H,3-6H2,1-2H3.
What are the key properties of N-(2-bromocyclohexyl)-N,5-dimethylthiophene-2-carboxamide?
N-(2-bromocyclohexyl)-N,5-dimethylthiophene-2-carboxamide has a molecular weight of 316.26 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-N,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 102638491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).