2-[(3-bromo-4-methoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide

C19H23BrN2O5S — CID 30329804

IUPAC2-[(3-bromo-4-methoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C19H23BrN2O5S/c1-4-11-22(13-19(23)21-16-7-5-6-8-18(16)27-3)28(24,25)14-9-10-17(26-2)15(20)12-14/h5-10,12H,4,11,13H2,1-3H3,(H,21,23)
InChIKeyDMHKQYPTBPCKFE-UHFFFAOYSA-N
MW471.37 g/mol
LogP3.51
Rot. Bonds9

About 2-[(3-bromo-4-methoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide

2-[(3-bromo-4-methoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide (PubChem CID 30329804) has the molecular formula C19H23BrN2O5S and a molecular weight of 471.37 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-bromo-4-methoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide
PubChem CID30329804
Molecular FormulaC19H23BrN2O5S
Molecular Weight471.37 g/mol
Exact Mass470.05
IUPAC Name2-[(3-bromo-4-methoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C19H23BrN2O5S/c1-4-11-22(13-19(23)21-16-7-5-6-8-18(16)27-3)28(24,25)14-9-10-17(26-2)15(20)12-14/h5-10,12H,4,11,13H2,1-3H3,(H,21,23)
InChIKeyDMHKQYPTBPCKFE-UHFFFAOYSA-N
XLogP3.51
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dimethoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 40682573
2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 52746584
2-[(3-chlorophenyl)sulfonyl-propylamino]-N-(2-phenoxyphenyl)acetamide
CID 2095155
2-[3,4-dihydronaphthalen-2-ylsulfonyl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18190586
N-(2-methoxyphenyl)-2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetamide
CID 46634659
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2-methoxyphenyl)acetamide
CID 126203271
ethyl 2-[[2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]benzoate
CID 43891772
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(naphthalen-1-ylamino)acetamide
CID 24510599
5-(diethylsulfamoyl)-N-(2-methoxyphenyl)-2-methylbenzamide
CID 2994373
3-bromo-N-butyl-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 61217996
N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147585
2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide
CID 134008468

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(3-bromo-4-methoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide (CID 30329804) is 2-[(3-bromo-4-methoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3-bromo-4-methoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(3-bromo-4-methoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-methoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is DMHKQYPTBPCKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O5S/c1-4-11-22(13-19(23)21-16-7-5-6-8-18(16)27-3)28(24,25)14-9-10-17(26-2)15(20)12-14/h5-10,12H,4,11,13H2,1-3H3,(H,21,23).
What are the key properties of 2-[(3-bromo-4-methoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide?
2-[(3-bromo-4-methoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 471.37 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 30329804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).