N-(4-bromophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide

C17H19BrN2O3S — CID 1334346

IUPACN-(4-bromophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c1C
InChIInChI=1S/C17H19BrN2O3S/c1-12-5-4-6-16(13(12)2)20(24(3,22)23)11-17(21)19-15-9-7-14(18)8-10-15/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyWYPWWOYQVAYJLN-UHFFFAOYSA-N
MW411.32 g/mol
LogP3.47
Rot. Bonds5

About N-(4-bromophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide

N-(4-bromophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 1334346) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
PubChem CID1334346
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC NameN-(4-bromophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c1C
InChIInChI=1S/C17H19BrN2O3S/c1-12-5-4-6-16(13(12)2)20(24(3,22)23)11-17(21)19-15-9-7-14(18)8-10-15/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyWYPWWOYQVAYJLN-UHFFFAOYSA-N
XLogP3.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Bromo-phenyl)-2-(3,4-dimethyl-phenylamino)-acetamide
CID 832423
2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 846944
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide
CID 848403
2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180
N~1~-(4-bromophenyl)-N~2~-cyclohexyl-N~2~-(methylsulfonyl)glycinamide
CID 1288007
2-(N-Benzyl4-bromobenzenesulfonamido)-N-(2-ethylphenyl)acetamide
CID 1365184
N-(4-fluorophenyl)-2-[(2-methylphenyl)(methylsulfonyl)amino]acetamide
CID 801874
2-[benzyl(methylsulfonyl)amino]-N-(3,5-dimethylphenyl)acetamide
CID 838548
N~2~-(4-fluorophenyl)-N~1~-(2-methylphenyl)-N~2~-(methylsulfonyl)glycinamide
CID 846451
N-(4-fluorophenyl)-N~2~-(3-methylphenyl)-N~2~-(methylsulfonyl)glycinamide
CID 881515
N-(4-bromophenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1141992
2-{[(dimethylamino)sulfonyl]anilino}-N-(3,4-dimethylphenyl)acetamide
CID 1211220

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide (CID 1334346) is N-(4-bromophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide is Cc1cccc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c1C.
What is the InChIKey of N-(4-bromophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is WYPWWOYQVAYJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-12-5-4-6-16(13(12)2)20(24(3,22)23)11-17(21)19-15-9-7-14(18)8-10-15/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(4-bromophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide?
N-(4-bromophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 411.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1334346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).