2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide

C24H26BrN3O3S — CID 30214262

IUPAC2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)c2ccccc2)c2cccc(Br)c2)cc1
InChIInChI=1S/C24H26BrN3O3S/c1-19-11-13-23(14-12-19)32(30,31)28(22-10-6-7-20(25)17-22)18-24(29)26-15-16-27(2)21-8-4-3-5-9-21/h3-14,17H,15-16,18H2,1-2H3,(H,26,29)
InChIKeyGNGLYVIAQKKRGO-UHFFFAOYSA-N
MW516.46 g/mol
LogP4.21
Rot. Bonds9

About 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide

2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide (PubChem CID 30214262) has the molecular formula C24H26BrN3O3S and a molecular weight of 516.46 g/mol. Its IUPAC name is 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
PubChem CID30214262
Molecular FormulaC24H26BrN3O3S
Molecular Weight516.46 g/mol
Exact Mass515.09
IUPAC Name2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)c2ccccc2)c2cccc(Br)c2)cc1
InChIInChI=1S/C24H26BrN3O3S/c1-19-11-13-23(14-12-19)32(30,31)28(22-10-6-7-20(25)17-22)18-24(29)26-15-16-27(2)21-8-4-3-5-9-21/h3-14,17H,15-16,18H2,1-2H3,(H,26,29)
InChIKeyGNGLYVIAQKKRGO-UHFFFAOYSA-N
XLogP4.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-butylacetamide
CID 126116858
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51344104
N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30210908
N-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30228167
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30227920
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(4-bromophenyl)acetamide
CID 43891649
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 94863973
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 30171324
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(2-phenylsulfanylethyl)acetamide
CID 51343326
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 94863974
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 125075131
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 43894075

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide?
The IUPAC name of 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide (CID 30214262) is 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide.
What is the SMILES notation for 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide?
The canonical SMILES for 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)c2ccccc2)c2cccc(Br)c2)cc1.
What is the InChIKey of 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide?
The InChIKey is GNGLYVIAQKKRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrN3O3S/c1-19-11-13-23(14-12-19)32(30,31)28(22-10-6-7-20(25)17-22)18-24(29)26-15-16-27(2)21-8-4-3-5-9-21/h3-14,17H,15-16,18H2,1-2H3,(H,26,29).
What are the key properties of 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide?
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide has a molecular weight of 516.46 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide is sourced from PubChem (CID 30214262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).