5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-carboxamide

C14H20BrNOS — CID 79964366

IUPAC5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCCCC2)sc1Br
InChIInChI=1S/C14H20BrNOS/c1-10-8-12(18-13(10)15)14(17)16(2)9-11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3
InChIKeyYXSNVICMHLJKJI-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.47
Rot. Bonds3

About 5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-carboxamide

5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-carboxamide (PubChem CID 79964366) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is 5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-carboxamide
PubChem CID79964366
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC Name5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCCCC2)sc1Br
InChIInChI=1S/C14H20BrNOS/c1-10-8-12(18-13(10)15)14(17)16(2)9-11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3
InChIKeyYXSNVICMHLJKJI-UHFFFAOYSA-N
XLogP4.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide
CID 61109172
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N,4-dimethylthiophene-2-carboxamide
CID 79990324
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide
CID 79994846
5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 65309509
4,5-dibromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 78929380
4,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-carboxamide
CID 80536544
4,5-dibromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 78942000
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide
CID 62053997
5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide
CID 79998727
5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081
5-bromo-N,4-dimethyl-N-pentan-2-ylthiophene-2-carboxamide
CID 79929208
5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide
CID 36553193

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-carboxamide (CID 79964366) is 5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)N(C)CC2CCCCC2)sc1Br.
What is the InChIKey of 5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-carboxamide?
The InChIKey is YXSNVICMHLJKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c1-10-8-12(18-13(10)15)14(17)16(2)9-11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3.
What are the key properties of 5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-carboxamide?
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 79964366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).