2-(2-bromo-4-methylphenoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide

C20H23BrN2O5S — CID 24582308

IUPAC2-(2-bromo-4-methylphenoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c(Br)c1
InChIInChI=1S/C20H23BrN2O5S/c1-15-6-7-18(17(21)12-15)28-14-20(24)22-13-16-4-2-3-5-19(16)29(25,26)23-8-10-27-11-9-23/h2-7,12H,8-11,13-14H2,1H3,(H,22,24)
InChIKeyYGHMEMWHHIKCDN-UHFFFAOYSA-N
MW483.38 g/mol
LogP2.47
Rot. Bonds7

About 2-(2-bromo-4-methylphenoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide

2-(2-bromo-4-methylphenoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide (PubChem CID 24582308) has the molecular formula C20H23BrN2O5S and a molecular weight of 483.38 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide
PubChem CID24582308
Molecular FormulaC20H23BrN2O5S
Molecular Weight483.38 g/mol
Exact Mass482.05
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c(Br)c1
InChIInChI=1S/C20H23BrN2O5S/c1-15-6-7-18(17(21)12-15)28-14-20(24)22-13-16-4-2-3-5-19(16)29(25,26)23-8-10-27-11-9-23/h2-7,12H,8-11,13-14H2,1H3,(H,22,24)
InChIKeyYGHMEMWHHIKCDN-UHFFFAOYSA-N
XLogP2.47
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-bromo-4-methylphenoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide with MolForge

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 5146954
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 24582298
2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79037091
N-[(2-methoxyphenyl)methyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6492353
6-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 18149126
N-[(2-chlorophenyl)methyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 27137564
2-[methyl-[2-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913244
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 60721221
N-(2,2-dimethylpropyl)-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 100796537
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 24666189
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 46445553

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide (CID 24582308) is 2-(2-bromo-4-methylphenoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide is Cc1ccc(OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The InChIKey is YGHMEMWHHIKCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O5S/c1-15-6-7-18(17(21)12-15)28-14-20(24)22-13-16-4-2-3-5-19(16)29(25,26)23-8-10-27-11-9-23/h2-7,12H,8-11,13-14H2,1H3,(H,22,24).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
2-(2-bromo-4-methylphenoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide has a molecular weight of 483.38 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 24582308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).