2-bromo-N-ethyl-N-piperidin-4-yl-5-sulfanylbenzamide

C14H19BrN2OS — CID 107024073

IUPAC2-bromo-N-ethyl-N-piperidin-4-yl-5-sulfanylbenzamide
SMILESCCN(C(=O)c1cc(S)ccc1Br)C1CCNCC1
InChIInChI=1S/C14H19BrN2OS/c1-2-17(10-5-7-16-8-6-10)14(18)12-9-11(19)3-4-13(12)15/h3-4,9-10,16,19H,2,5-8H2,1H3
InChIKeyQLCSWBSBXMPECR-UHFFFAOYSA-N
MW343.29 g/mol
LogP2.95
Rot. Bonds3

About 2-bromo-N-ethyl-N-piperidin-4-yl-5-sulfanylbenzamide

2-bromo-N-ethyl-N-piperidin-4-yl-5-sulfanylbenzamide (PubChem CID 107024073) has the molecular formula C14H19BrN2OS and a molecular weight of 343.29 g/mol. Its IUPAC name is 2-bromo-N-ethyl-N-piperidin-4-yl-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-N-piperidin-4-yl-5-sulfanylbenzamide
PubChem CID107024073
Molecular FormulaC14H19BrN2OS
Molecular Weight343.29 g/mol
Exact Mass342.04
IUPAC Name2-bromo-N-ethyl-N-piperidin-4-yl-5-sulfanylbenzamide
SMILESCCN(C(=O)c1cc(S)ccc1Br)C1CCNCC1
InChIInChI=1S/C14H19BrN2OS/c1-2-17(10-5-7-16-8-6-10)14(18)12-9-11(19)3-4-13(12)15/h3-4,9-10,16,19H,2,5-8H2,1H3
InChIKeyQLCSWBSBXMPECR-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-cyclohexyl-N-ethyl-5-sulfanylbenzamide
CID 107020962
N-ethyl-2,4-dimethyl-N-piperidin-4-ylbenzamide
CID 60807085
2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide
CID 107032458
4-bromo-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide
CID 54923872
2-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfanylbenzamide
CID 107402633
2-bromo-N-(4-ethylcyclohexyl)-N-methyl-5-sulfanylbenzamide
CID 107024800
N-ethyl-2,6-dimethyl-N-piperidin-4-ylpyridine-3-carboxamide
CID 62828526
2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 81111905
2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 81112056
N-ethyl-5-fluoro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 115299350
N-ethyl-5-fluoro-2-methyl-N-piperidin-4-ylbenzamide
CID 63048793
5-bromo-N-ethyl-4-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 79990331

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-N-piperidin-4-yl-5-sulfanylbenzamide?
The IUPAC name of 2-bromo-N-ethyl-N-piperidin-4-yl-5-sulfanylbenzamide (CID 107024073) is 2-bromo-N-ethyl-N-piperidin-4-yl-5-sulfanylbenzamide.
What is the SMILES notation for 2-bromo-N-ethyl-N-piperidin-4-yl-5-sulfanylbenzamide?
The canonical SMILES for 2-bromo-N-ethyl-N-piperidin-4-yl-5-sulfanylbenzamide is CCN(C(=O)c1cc(S)ccc1Br)C1CCNCC1.
What is the InChIKey of 2-bromo-N-ethyl-N-piperidin-4-yl-5-sulfanylbenzamide?
The InChIKey is QLCSWBSBXMPECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2OS/c1-2-17(10-5-7-16-8-6-10)14(18)12-9-11(19)3-4-13(12)15/h3-4,9-10,16,19H,2,5-8H2,1H3.
What are the key properties of 2-bromo-N-ethyl-N-piperidin-4-yl-5-sulfanylbenzamide?
2-bromo-N-ethyl-N-piperidin-4-yl-5-sulfanylbenzamide has a molecular weight of 343.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-N-piperidin-4-yl-5-sulfanylbenzamide is sourced from PubChem (CID 107024073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).