5-bromo-N-(cyclohexylmethyl)thiophene-2-carboxamide

C12H16BrNOS — CID 35895806

IUPAC5-bromo-N-(cyclohexylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1ccc(Br)s1
InChIInChI=1S/C12H16BrNOS/c13-11-7-6-10(16-11)12(15)14-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,15)
InChIKeyDOMVXBJIUHWULI-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.82
Rot. Bonds3

About 5-bromo-N-(cyclohexylmethyl)thiophene-2-carboxamide

5-bromo-N-(cyclohexylmethyl)thiophene-2-carboxamide (PubChem CID 35895806) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is 5-bromo-N-(cyclohexylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(cyclohexylmethyl)thiophene-2-carboxamide
PubChem CID35895806
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC Name5-bromo-N-(cyclohexylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1ccc(Br)s1
InChIInChI=1S/C12H16BrNOS/c13-11-7-6-10(16-11)12(15)14-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,15)
InChIKeyDOMVXBJIUHWULI-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclohexylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(cyclohexylmethyl)thiophene-2-carboxamide (CID 35895806) is 5-bromo-N-(cyclohexylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(cyclohexylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(cyclohexylmethyl)thiophene-2-carboxamide is O=C(NCC1CCCCC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(cyclohexylmethyl)thiophene-2-carboxamide?
The InChIKey is DOMVXBJIUHWULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c13-11-7-6-10(16-11)12(15)14-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,15).
What are the key properties of 5-bromo-N-(cyclohexylmethyl)thiophene-2-carboxamide?
5-bromo-N-(cyclohexylmethyl)thiophene-2-carboxamide has a molecular weight of 302.24 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclohexylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 35895806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).