N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide

C16H17BrN2O3S — CID 100787095

IUPACN-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCN(c1ccc(CC(=O)Nc2cccc(Br)c2)cc1)S(C)(=O)=O
InChIInChI=1S/C16H17BrN2O3S/c1-19(23(2,21)22)15-8-6-12(7-9-15)10-16(20)18-14-5-3-4-13(17)11-14/h3-9,11H,10H2,1-2H3,(H,18,20)
InChIKeyWEQIBWZPRUDYET-UHFFFAOYSA-N
MW397.29 g/mol
LogP3.03
Rot. Bonds5

About N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide

N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide (PubChem CID 100787095) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
PubChem CID100787095
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC NameN-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCN(c1ccc(CC(=O)Nc2cccc(Br)c2)cc1)S(C)(=O)=O
InChIInChI=1S/C16H17BrN2O3S/c1-19(23(2,21)22)15-8-6-12(7-9-15)10-16(20)18-14-5-3-4-13(17)11-14/h3-9,11H,10H2,1-2H3,(H,18,20)
InChIKeyWEQIBWZPRUDYET-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133184535
2-(4-bromo-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1314108
4-[[2-(3-bromoanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30259268
2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 100787274
N-(3-bromophenyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 8991381
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide
CID 30128386
2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180
N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 1082278
N-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147615
N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)propanamide
CID 41465695
N-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide
CID 46451248
4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 1006597

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide (CID 100787095) is N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide is CN(c1ccc(CC(=O)Nc2cccc(Br)c2)cc1)S(C)(=O)=O.
What is the InChIKey of N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The InChIKey is WEQIBWZPRUDYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c1-19(23(2,21)22)15-8-6-12(7-9-15)10-16(20)18-14-5-3-4-13(17)11-14/h3-9,11H,10H2,1-2H3,(H,18,20).
What are the key properties of N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide?
N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide has a molecular weight of 397.29 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide is sourced from PubChem (CID 100787095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).