5-bromo-2-(2-methylpropoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

C21H25BrN2O5S — CID 17050775

IUPAC5-bromo-2-(2-methylpropoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCC(C)COc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H25BrN2O5S/c1-15(2)14-29-20-8-3-16(22)13-19(20)21(25)23-17-4-6-18(7-5-17)30(26,27)24-9-11-28-12-10-24/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,25)
InChIKeyJSKUVKXUQBMPGQ-UHFFFAOYSA-N
MW497.41 g/mol
LogP3.76
Rot. Bonds7

About 5-bromo-2-(2-methylpropoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

5-bromo-2-(2-methylpropoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 17050775) has the molecular formula C21H25BrN2O5S and a molecular weight of 497.41 g/mol. Its IUPAC name is 5-bromo-2-(2-methylpropoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-(2-methylpropoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID17050775
Molecular FormulaC21H25BrN2O5S
Molecular Weight497.41 g/mol
Exact Mass496.07
IUPAC Name5-bromo-2-(2-methylpropoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCC(C)COc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H25BrN2O5S/c1-15(2)14-29-20-8-3-16(22)13-19(20)21(25)23-17-4-6-18(7-5-17)30(26,27)24-9-11-28-12-10-24/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,25)
InChIKeyJSKUVKXUQBMPGQ-UHFFFAOYSA-N
XLogP3.76
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(2-methylpropoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 17050773
5-bromo-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]benzamide
CID 17094493
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 4945392
5-bromo-2-butoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17349990
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-5-bromo-2-ethoxybenzamide
CID 17352979
N-(2,4-dibromophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 16561045
3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide
CID 17342731
5-bromo-2-(3-methylbutoxy)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]benzamide
CID 17351055
5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 17050839
5-bromo-N-[4-(3-methylbutoxy)phenyl]-2-(2-methylpropoxy)benzamide
CID 17050851
5-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-phenylethoxy)benzamide
CID 17046134
5-bromo-2-hydroxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 46510504

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methylpropoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 5-bromo-2-(2-methylpropoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (CID 17050775) is 5-bromo-2-(2-methylpropoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-(2-methylpropoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 5-bromo-2-(2-methylpropoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is CC(C)COc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 5-bromo-2-(2-methylpropoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is JSKUVKXUQBMPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O5S/c1-15(2)14-29-20-8-3-16(22)13-19(20)21(25)23-17-4-6-18(7-5-17)30(26,27)24-9-11-28-12-10-24/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,25).
What are the key properties of 5-bromo-2-(2-methylpropoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
5-bromo-2-(2-methylpropoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 497.41 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methylpropoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 17050775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).