5-bromo-N-(4-ethylcyclohexyl)-N-methylthiophene-3-carboxamide

C14H20BrNOS — CID 60738324

IUPAC5-bromo-N-(4-ethylcyclohexyl)-N-methylthiophene-3-carboxamide
SMILESCCC1CCC(N(C)C(=O)c2csc(Br)c2)CC1
InChIInChI=1S/C14H20BrNOS/c1-3-10-4-6-12(7-5-10)16(2)14(17)11-8-13(15)18-9-11/h8-10,12H,3-7H2,1-2H3
InChIKeyWWKCOQFWOJHRHT-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.55
Rot. Bonds3

About 5-bromo-N-(4-ethylcyclohexyl)-N-methylthiophene-3-carboxamide

5-bromo-N-(4-ethylcyclohexyl)-N-methylthiophene-3-carboxamide (PubChem CID 60738324) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is 5-bromo-N-(4-ethylcyclohexyl)-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-ethylcyclohexyl)-N-methylthiophene-3-carboxamide
PubChem CID60738324
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC Name5-bromo-N-(4-ethylcyclohexyl)-N-methylthiophene-3-carboxamide
SMILESCCC1CCC(N(C)C(=O)c2csc(Br)c2)CC1
InChIInChI=1S/C14H20BrNOS/c1-3-10-4-6-12(7-5-10)16(2)14(17)11-8-13(15)18-9-11/h8-10,12H,3-7H2,1-2H3
InChIKeyWWKCOQFWOJHRHT-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide
CID 63525997
5-bromo-N-methyl-N-(2-methylcyclohexyl)thiophene-3-carboxamide
CID 60735362
5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide
CID 62861189
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide
CID 62053997
5-bromo-N-cyclohexyl-N-ethylthiophene-3-carboxamide
CID 43424613
2-bromo-N-(4-ethylcyclohexyl)-N-methyl-5-sulfanylbenzamide
CID 107024800
5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide
CID 63707382
3-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylbenzamide
CID 61027253
5-bromo-N-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide
CID 63958500
5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide
CID 63866512
5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-3-carboxamide
CID 60739077
5-(3-aminoprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)thiophene-3-carboxamide
CID 79683547

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-ethylcyclohexyl)-N-methylthiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(4-ethylcyclohexyl)-N-methylthiophene-3-carboxamide (CID 60738324) is 5-bromo-N-(4-ethylcyclohexyl)-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-ethylcyclohexyl)-N-methylthiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(4-ethylcyclohexyl)-N-methylthiophene-3-carboxamide is CCC1CCC(N(C)C(=O)c2csc(Br)c2)CC1.
What is the InChIKey of 5-bromo-N-(4-ethylcyclohexyl)-N-methylthiophene-3-carboxamide?
The InChIKey is WWKCOQFWOJHRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c1-3-10-4-6-12(7-5-10)16(2)14(17)11-8-13(15)18-9-11/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 5-bromo-N-(4-ethylcyclohexyl)-N-methylthiophene-3-carboxamide?
5-bromo-N-(4-ethylcyclohexyl)-N-methylthiophene-3-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-ethylcyclohexyl)-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 60738324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).