5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide

C14H20BrNOS — CID 63525997

IUPAC5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide
SMILESCCC1CCC(CNC(=O)c2csc(Br)c2)CC1
InChIInChI=1S/C14H20BrNOS/c1-2-10-3-5-11(6-4-10)8-16-14(17)12-7-13(15)18-9-12/h7,9-11H,2-6,8H2,1H3,(H,16,17)
InChIKeyJYEHLWPTMGYYLA-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.46
Rot. Bonds4

About 5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide

5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide (PubChem CID 63525997) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is 5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide
PubChem CID63525997
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC Name5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide
SMILESCCC1CCC(CNC(=O)c2csc(Br)c2)CC1
InChIInChI=1S/C14H20BrNOS/c1-2-10-3-5-11(6-4-10)8-16-14(17)12-7-13(15)18-9-12/h7,9-11H,2-6,8H2,1H3,(H,16,17)
InChIKeyJYEHLWPTMGYYLA-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(4-methylcyclohexyl)methyl]thiophene-3-carboxamide
CID 61380978
5-bromo-N-(cyclobutylmethyl)thiophene-3-carboxamide
CID 33383602
4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride
CID 65397370
5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide
CID 61019351
5-bromo-N-(4-ethylcyclohexyl)-N-methylthiophene-3-carboxamide
CID 60738324
5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide
CID 107966151
N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide
CID 63482414
5-bromo-N-[2-(cyclopropylamino)ethyl]thiophene-3-carboxamide
CID 103806386
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]thiophene-3-carboxamide
CID 43424485
N-(cyclopropylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 62223100
5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide
CID 103800048
5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide
CID 65111095

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide (CID 63525997) is 5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide is CCC1CCC(CNC(=O)c2csc(Br)c2)CC1.
What is the InChIKey of 5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide?
The InChIKey is JYEHLWPTMGYYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c1-2-10-3-5-11(6-4-10)8-16-14(17)12-7-13(15)18-9-12/h7,9-11H,2-6,8H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide?
5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 63525997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).