N-(2-bromo-4-methylphenyl)-2-(N-methylsulfonylanilino)acetamide

C16H17BrN2O3S — CID 113153680

IUPACN-(2-bromo-4-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(Br)c1
InChIInChI=1S/C16H17BrN2O3S/c1-12-8-9-15(14(17)10-12)18-16(20)11-19(23(2,21)22)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyQVVQSZPBKODVDU-UHFFFAOYSA-N
MW397.29 g/mol
LogP3.16
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-2-(N-methylsulfonylanilino)acetamide

N-(2-bromo-4-methylphenyl)-2-(N-methylsulfonylanilino)acetamide (PubChem CID 113153680) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
PubChem CID113153680
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(Br)c1
InChIInChI=1S/C16H17BrN2O3S/c1-12-8-9-15(14(17)10-12)18-16(20)11-19(23(2,21)22)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyQVVQSZPBKODVDU-UHFFFAOYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 51343025
N-(2-bromo-4-methylphenyl)-2-(N-(2-fluorophenyl)sulfonylanilino)acetamide
CID 25487605
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-bromo-4-methylphenyl)acetamide
CID 26565833
N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345310
2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113153664
N-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1097920
N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953221
N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1102314
N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 846890
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide
CID 2962960
N-(2-bromophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 1100120
2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113153696

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(N-methylsulfonylanilino)acetamide (CID 113153680) is N-(2-bromo-4-methylphenyl)-2-(N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(N-methylsulfonylanilino)acetamide is Cc1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(N-methylsulfonylanilino)acetamide?
The InChIKey is QVVQSZPBKODVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c1-12-8-9-15(14(17)10-12)18-16(20)11-19(23(2,21)22)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(N-methylsulfonylanilino)acetamide?
N-(2-bromo-4-methylphenyl)-2-(N-methylsulfonylanilino)acetamide has a molecular weight of 397.29 g/mol, XLogP of 3.16, 5 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-(N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113153680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).