2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide

C24H24BrN3O2S — CID 55966697

IUPAC2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)c1ccccc1Sc1ccc(Br)cn1
InChIInChI=1S/C24H24BrN3O2S/c25-19-10-11-23(26-16-19)31-22-9-5-4-8-20(22)24(29)27-17-21(18-6-2-1-3-7-18)28-12-14-30-15-13-28/h1-11,16,21H,12-15,17H2,(H,27,29)
InChIKeyXRFKRLGWPJRPIF-UHFFFAOYSA-N
MW498.45 g/mol
LogP4.80
Rot. Bonds7

About 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide

2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide (PubChem CID 55966697) has the molecular formula C24H24BrN3O2S and a molecular weight of 498.45 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
PubChem CID55966697
Molecular FormulaC24H24BrN3O2S
Molecular Weight498.45 g/mol
Exact Mass497.08
IUPAC Name2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)c1ccccc1Sc1ccc(Br)cn1
InChIInChI=1S/C24H24BrN3O2S/c25-19-10-11-23(26-16-19)31-22-9-5-4-8-20(22)24(29)27-17-21(18-6-2-1-3-7-18)28-12-14-30-15-13-28/h1-11,16,21H,12-15,17H2,(H,27,29)
InChIKeyXRFKRLGWPJRPIF-UHFFFAOYSA-N
XLogP4.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.45
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide
CID 91197833
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylbenzamide
CID 2460009
5-chloro-N-(2-morpholin-4-yl-2-phenylethyl)furan-2-carboxamide
CID 86922955
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide;dihydrochloride
CID 119946754
4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 112506372
6-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-4-oxochromene-2-carboxamide
CID 45155279
2,4-dichloro-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
CID 46578639
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 17467172
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460592
2-(methylamino)-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1,3-thiazole-5-carboxamide
CID 97329336
N-(2-morpholin-4-yl-2-phenylethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 55574957
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide (CID 55966697) is 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide is O=C(NCC(c1ccccc1)N1CCOCC1)c1ccccc1Sc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide?
The InChIKey is XRFKRLGWPJRPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O2S/c25-19-10-11-23(26-16-19)31-22-9-5-4-8-20(22)24(29)27-17-21(18-6-2-1-3-7-18)28-12-14-30-15-13-28/h1-11,16,21H,12-15,17H2,(H,27,29).
What are the key properties of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide?
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide has a molecular weight of 498.45 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(2-morpholin-4-yl-2-phenylethyl)benzamide is sourced from PubChem (CID 55966697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).