N-(4-bromo-3-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]methanesulfonamide

C14H22BrNO3S — CID 75418730

IUPACN-(4-bromo-3-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]methanesulfonamide
SMILESCc1cc(N(CCOC(C)(C)C)S(C)(=O)=O)ccc1Br
InChIInChI=1S/C14H22BrNO3S/c1-11-10-12(6-7-13(11)15)16(20(5,17)18)8-9-19-14(2,3)4/h6-7,10H,8-9H2,1-5H3
InChIKeyOLIMIJLKDGMGAS-UHFFFAOYSA-N
MW364.31 g/mol
LogP3.34
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]methanesulfonamide

N-(4-bromo-3-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]methanesulfonamide (PubChem CID 75418730) has the molecular formula C14H22BrNO3S and a molecular weight of 364.31 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]methanesulfonamide
PubChem CID75418730
Molecular FormulaC14H22BrNO3S
Molecular Weight364.31 g/mol
Exact Mass363.05
IUPAC NameN-(4-bromo-3-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]methanesulfonamide
SMILESCc1cc(N(CCOC(C)(C)C)S(C)(=O)=O)ccc1Br
InChIInChI=1S/C14H22BrNO3S/c1-11-10-12(6-7-13(11)15)16(20(5,17)18)8-9-19-14(2,3)4/h6-7,10H,8-9H2,1-5H3
InChIKeyOLIMIJLKDGMGAS-UHFFFAOYSA-N
XLogP3.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-N-(2-hydroxyethyl)methanesulfonamide
CID 70935045
3-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-butan-2-ylpropanamide
CID 113146090
N-(4-bromo-3-methylphenyl)methanesulfonohydrazide
CID 82307190
1-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]-3-cyclopropylurea
CID 113071624
N-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide
CID 113071622
N-(4-bromo-3-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide
CID 131961078
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 126378158
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide
CID 48557581
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 17052667
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 17052672
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 1265075
2-(4-bromo-N,3-dimethylanilino)ethanol
CID 82117999

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]methanesulfonamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]methanesulfonamide (CID 75418730) is N-(4-bromo-3-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]methanesulfonamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]methanesulfonamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]methanesulfonamide is Cc1cc(N(CCOC(C)(C)C)S(C)(=O)=O)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]methanesulfonamide?
The InChIKey is OLIMIJLKDGMGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO3S/c1-11-10-12(6-7-13(11)15)16(20(5,17)18)8-9-19-14(2,3)4/h6-7,10H,8-9H2,1-5H3.
What are the key properties of N-(4-bromo-3-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]methanesulfonamide?
N-(4-bromo-3-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]methanesulfonamide has a molecular weight of 364.31 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]methanesulfonamide is sourced from PubChem (CID 75418730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).