N-(4-bromophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide

C24H25BrN2O4S — CID 126394469

IUPACN-(4-bromophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C24H25BrN2O4S/c1-16-5-12-22(31-4)23(13-16)32(29,30)27(21-11-6-17(2)18(3)14-21)15-24(28)26-20-9-7-19(25)8-10-20/h5-14H,15H2,1-4H3,(H,26,28)
InChIKeyQYNJNCWXYLTJFV-UHFFFAOYSA-N
MW517.45 g/mol
LogP5.22
Rot. Bonds7

About N-(4-bromophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide

N-(4-bromophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide (PubChem CID 126394469) has the molecular formula C24H25BrN2O4S and a molecular weight of 517.45 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide
PubChem CID126394469
Molecular FormulaC24H25BrN2O4S
Molecular Weight517.45 g/mol
Exact Mass516.07
IUPAC NameN-(4-bromophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C24H25BrN2O4S/c1-16-5-12-22(31-4)23(13-16)32(29,30)27(21-11-6-17(2)18(3)14-21)15-24(28)26-20-9-7-19(25)8-10-20/h5-14H,15H2,1-4H3,(H,26,28)
InChIKeyQYNJNCWXYLTJFV-UHFFFAOYSA-N
XLogP5.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.45
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 126391900
N-(4-acetamidophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126393004
N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 126394594
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 126393780
4-[[2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetyl]amino]benzamide
CID 126394467
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetic acid
CID 1022049
N-(2-fluorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide
CID 126395488
N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51343967
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 126393608
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-[(2S)-pentan-2-yl]acetamide
CID 126394527
N-(4-bromo-2,6-dimethylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 100798733
N-(4-ethylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 126394532

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide (CID 126394469) is N-(4-bromophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1ccc(C)c(C)c1.
What is the InChIKey of N-(4-bromophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide?
The InChIKey is QYNJNCWXYLTJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O4S/c1-16-5-12-22(31-4)23(13-16)32(29,30)27(21-11-6-17(2)18(3)14-21)15-24(28)26-20-9-7-19(25)8-10-20/h5-14H,15H2,1-4H3,(H,26,28).
What are the key properties of N-(4-bromophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide?
N-(4-bromophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide has a molecular weight of 517.45 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide is sourced from PubChem (CID 126394469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).