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

C18H20BrClN2O3S — CID 42972348

IUPACN-(2-bromo-4-methylphenyl)-2-[(3-chlorophenyl)sulfonyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(C)cc1Br)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H20BrClN2O3S/c1-3-9-22(26(24,25)15-6-4-5-14(20)11-15)12-18(23)21-17-8-7-13(2)10-16(17)19/h4-8,10-11H,3,9,12H2,1-2H3,(H,21,23)
InChIKeyFZBSJFBDEQIATG-UHFFFAOYSA-N
MW459.79 g/mol
LogP4.45
Rot. Bonds7

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

N-(2-bromo-4-methylphenyl)-2-[(3-chlorophenyl)sulfonyl-propylamino]acetamide (PubChem CID 42972348) has the molecular formula C18H20BrClN2O3S and a molecular weight of 459.79 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[(3-chlorophenyl)sulfonyl-propylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[(3-chlorophenyl)sulfonyl-propylamino]acetamide
PubChem CID42972348
Molecular FormulaC18H20BrClN2O3S
Molecular Weight459.79 g/mol
Exact Mass458.01
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[(3-chlorophenyl)sulfonyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(C)cc1Br)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H20BrClN2O3S/c1-3-9-22(26(24,25)15-6-4-5-14(20)11-15)12-18(23)21-17-8-7-13(2)10-16(17)19/h4-8,10-11H,3,9,12H2,1-2H3,(H,21,23)
InChIKeyFZBSJFBDEQIATG-UHFFFAOYSA-N
XLogP4.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.79
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)sulfonyl-propylamino]-N-(2-phenoxyphenyl)acetamide
CID 2095155
N-(2-bromo-4-methylphenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27185823
N-(2-bromo-4-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 26524150
2-[(2-chloro-4-methylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 32675529
2-[(3-bromo-4-methoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 30329804
N-(2-methylphenyl)-2-[propyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 24678170
2-[(3-bromophenyl)sulfonyl-propylamino]-N-propylacetamide
CID 61060306
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-bromo-4-methylphenyl)acetamide
CID 26565833
2-[(2,5-dimethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 30329201
N-(2,5-dichlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(propyl)amino]acetamide
CID 2538512
N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955213

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[(3-chlorophenyl)sulfonyl-propylamino]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[(3-chlorophenyl)sulfonyl-propylamino]acetamide (CID 42972348) is N-(2-bromo-4-methylphenyl)-2-[(3-chlorophenyl)sulfonyl-propylamino]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[(3-chlorophenyl)sulfonyl-propylamino]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[(3-chlorophenyl)sulfonyl-propylamino]acetamide is CCCN(CC(=O)Nc1ccc(C)cc1Br)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[(3-chlorophenyl)sulfonyl-propylamino]acetamide?
The InChIKey is FZBSJFBDEQIATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O3S/c1-3-9-22(26(24,25)15-6-4-5-14(20)11-15)12-18(23)21-17-8-7-13(2)10-16(17)19/h4-8,10-11H,3,9,12H2,1-2H3,(H,21,23).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[(3-chlorophenyl)sulfonyl-propylamino]acetamide?
N-(2-bromo-4-methylphenyl)-2-[(3-chlorophenyl)sulfonyl-propylamino]acetamide has a molecular weight of 459.79 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[(3-chlorophenyl)sulfonyl-propylamino]acetamide is sourced from PubChem (CID 42972348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).