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

C18H21BrN2O4S — CID 2572082

IUPAC2-[(4-bromo-3-methylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)S(=O)(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C18H21BrN2O4S/c1-4-21(26(23,24)16-8-9-17(19)13(2)10-16)12-18(22)20-14-6-5-7-15(11-14)25-3/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyPPCPNCJRKCNYFA-UHFFFAOYSA-N
MW441.35 g/mol
LogP3.42
Rot. Bonds7

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

2-[(4-bromo-3-methylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 2572082) has the molecular formula C18H21BrN2O4S and a molecular weight of 441.35 g/mol. Its IUPAC name is 2-[(4-bromo-3-methylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromo-3-methylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID2572082
Molecular FormulaC18H21BrN2O4S
Molecular Weight441.35 g/mol
Exact Mass440.04
IUPAC Name2-[(4-bromo-3-methylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)S(=O)(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C18H21BrN2O4S/c1-4-21(26(23,24)16-8-9-17(19)13(2)10-16)12-18(22)20-14-6-5-7-15(11-14)25-3/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyPPCPNCJRKCNYFA-UHFFFAOYSA-N
XLogP3.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 3510493
2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 47121758
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 5136984
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide
CID 92645499
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 1248167
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 45372341
N-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2234331
N-[4-(diethylsulfamoyl)phenyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126259402
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 29357217
5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide
CID 26914540
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 45372456
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide
CID 126011407

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-methylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(4-bromo-3-methylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)acetamide (CID 2572082) is 2-[(4-bromo-3-methylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-bromo-3-methylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-bromo-3-methylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)acetamide is CCN(CC(=O)Nc1cccc(OC)c1)S(=O)(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of 2-[(4-bromo-3-methylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is PPCPNCJRKCNYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S/c1-4-21(26(23,24)16-8-9-17(19)13(2)10-16)12-18(22)20-14-6-5-7-15(11-14)25-3/h5-11H,4,12H2,1-3H3,(H,20,22).
What are the key properties of 2-[(4-bromo-3-methylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)acetamide?
2-[(4-bromo-3-methylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 441.35 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3-methylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 2572082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).