2-bromo-N-cyclohexyl-N-ethyl-5-sulfanylbenzamide

C15H20BrNOS — CID 107020962

IUPAC2-bromo-N-cyclohexyl-N-ethyl-5-sulfanylbenzamide
SMILESCCN(C(=O)c1cc(S)ccc1Br)C1CCCCC1
InChIInChI=1S/C15H20BrNOS/c1-2-17(11-6-4-3-5-7-11)15(18)13-10-12(19)8-9-14(13)16/h8-11,19H,2-7H2,1H3
InChIKeyUWELUXITSKJOJV-UHFFFAOYSA-N
MW342.30 g/mol
LogP4.53
Rot. Bonds3

About 2-bromo-N-cyclohexyl-N-ethyl-5-sulfanylbenzamide

2-bromo-N-cyclohexyl-N-ethyl-5-sulfanylbenzamide (PubChem CID 107020962) has the molecular formula C15H20BrNOS and a molecular weight of 342.30 g/mol. Its IUPAC name is 2-bromo-N-cyclohexyl-N-ethyl-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-bromo-N-cyclohexyl-N-ethyl-5-sulfanylbenzamide
PubChem CID107020962
Molecular FormulaC15H20BrNOS
Molecular Weight342.30 g/mol
Exact Mass341.04
IUPAC Name2-bromo-N-cyclohexyl-N-ethyl-5-sulfanylbenzamide
SMILESCCN(C(=O)c1cc(S)ccc1Br)C1CCCCC1
InChIInChI=1S/C15H20BrNOS/c1-2-17(11-6-4-3-5-7-11)15(18)13-10-12(19)8-9-14(13)16/h8-11,19H,2-7H2,1H3
InChIKeyUWELUXITSKJOJV-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-ethyl-N-piperidin-4-yl-5-sulfanylbenzamide
CID 107024073
2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide
CID 107032458
2-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfanylbenzamide
CID 107402633
5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide
CID 62814715
2-bromo-N-(4-ethylcyclohexyl)-N-methyl-5-sulfanylbenzamide
CID 107024800
4-bromo-2-chloro-N-cyclohexyl-N-ethylbenzamide
CID 52696658
4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide
CID 24693418
5-bromo-N-cyclopentyl-N-ethyl-2-methylbenzamide
CID 65306938
N-cyclopentyl-N-ethyl-4-hydroxy-2-methylbenzamide
CID 113341129
5-bromo-N-cyclohexyl-N-ethylthiophene-3-carboxamide
CID 43424613
2-bromo-N-(2-bromoethyl)-N-cyclobutyl-5-methylbenzamide
CID 102872929
2-amino-5-chloro-N-cyclopentyl-N-ethylbenzamide
CID 43540646

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclohexyl-N-ethyl-5-sulfanylbenzamide?
The IUPAC name of 2-bromo-N-cyclohexyl-N-ethyl-5-sulfanylbenzamide (CID 107020962) is 2-bromo-N-cyclohexyl-N-ethyl-5-sulfanylbenzamide.
What is the SMILES notation for 2-bromo-N-cyclohexyl-N-ethyl-5-sulfanylbenzamide?
The canonical SMILES for 2-bromo-N-cyclohexyl-N-ethyl-5-sulfanylbenzamide is CCN(C(=O)c1cc(S)ccc1Br)C1CCCCC1.
What is the InChIKey of 2-bromo-N-cyclohexyl-N-ethyl-5-sulfanylbenzamide?
The InChIKey is UWELUXITSKJOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNOS/c1-2-17(11-6-4-3-5-7-11)15(18)13-10-12(19)8-9-14(13)16/h8-11,19H,2-7H2,1H3.
What are the key properties of 2-bromo-N-cyclohexyl-N-ethyl-5-sulfanylbenzamide?
2-bromo-N-cyclohexyl-N-ethyl-5-sulfanylbenzamide has a molecular weight of 342.30 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclohexyl-N-ethyl-5-sulfanylbenzamide is sourced from PubChem (CID 107020962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).