2-(4-bromo-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide

C18H21BrN2O4S — CID 2281472

IUPAC2-(4-bromo-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21BrN2O4S/c1-25-17-9-3-14(4-10-17)11-12-20-18(22)13-21(26(2,23)24)16-7-5-15(19)6-8-16/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyMYFZNPZWESDALF-UHFFFAOYSA-N
MW441.35 g/mol
LogP2.58
Rot. Bonds8

About 2-(4-bromo-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-(4-bromo-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 2281472) has the molecular formula C18H21BrN2O4S and a molecular weight of 441.35 g/mol. Its IUPAC name is 2-(4-bromo-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID2281472
Molecular FormulaC18H21BrN2O4S
Molecular Weight441.35 g/mol
Exact Mass440.04
IUPAC Name2-(4-bromo-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21BrN2O4S/c1-25-17-9-3-14(4-10-17)11-12-20-18(22)13-21(26(2,23)24)16-7-5-15(19)6-8-16/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyMYFZNPZWESDALF-UHFFFAOYSA-N
XLogP2.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30242386
N-[3-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30277544
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2279376
N-[2-(4-methoxyphenyl)ethyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 2229213
2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1318473
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30220067
2-(4-ethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 113154154
N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157773
2-(N-methylsulfonyl-4-propoxyanilino)-N-(2-phenylethyl)acetamide
CID 30257371
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2865069
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30248576
2-[(4-bromophenyl)methyl-[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-ethylpropanamide
CID 132622991

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-bromo-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 2281472) is 2-(4-bromo-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromo-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromo-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-bromo-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is MYFZNPZWESDALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S/c1-25-17-9-3-14(4-10-17)11-12-20-18(22)13-21(26(2,23)24)16-7-5-15(19)6-8-16/h3-10H,11-13H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-bromo-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(4-bromo-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 441.35 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 2281472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).