N-[[1-(bromomethyl)cyclohexyl]methyl]-4,5-dimethylthiophene-2-carboxamide

C15H22BrNOS — CID 113359984

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC2(CBr)CCCCC2)sc1C
InChIInChI=1S/C15H22BrNOS/c1-11-8-13(19-12(11)2)14(18)17-10-15(9-16)6-4-3-5-7-15/h8H,3-7,9-10H2,1-2H3,(H,17,18)
InChIKeyYIOISLYVCCYLEJ-UHFFFAOYSA-N
MW344.32 g/mol
LogP4.44
Rot. Bonds4

About N-[[1-(bromomethyl)cyclohexyl]methyl]-4,5-dimethylthiophene-2-carboxamide

N-[[1-(bromomethyl)cyclohexyl]methyl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 113359984) has the molecular formula C15H22BrNOS and a molecular weight of 344.32 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID113359984
Molecular FormulaC15H22BrNOS
Molecular Weight344.32 g/mol
Exact Mass343.06
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC2(CBr)CCCCC2)sc1C
InChIInChI=1S/C15H22BrNOS/c1-11-8-13(19-12(11)2)14(18)17-10-15(9-16)6-4-3-5-7-15/h8H,3-7,9-10H2,1-2H3,(H,17,18)
InChIKeyYIOISLYVCCYLEJ-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide
CID 18157799
3-methyl-N-(2-methylcyclohexyl)thiophene-2-carboxamide
CID 25162656
N-isopropyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 687094
N-methyl-5-phenyl-2-thiophenecarboxamide
CID 3790018
N-[1-(4-ethylphenyl)ethyl]thiophene-2-carboxamide
CID 3504524

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-4,5-dimethylthiophene-2-carboxamide (CID 113359984) is N-[[1-(bromomethyl)cyclohexyl]methyl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)NCC2(CBr)CCCCC2)sc1C.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is YIOISLYVCCYLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNOS/c1-11-8-13(19-12(11)2)14(18)17-10-15(9-16)6-4-3-5-7-15/h8H,3-7,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-4,5-dimethylthiophene-2-carboxamide?
N-[[1-(bromomethyl)cyclohexyl]methyl]-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 344.32 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 113359984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).