2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide

C25H28N2O3S — CID 43891929

IUPAC2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
SMILESCc1cccc(N(CC(=O)NC(C)c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C25H28N2O3S/c1-18-9-8-10-23(15-18)27(31(29,30)24-11-6-5-7-12-24)17-25(28)26-21(4)22-14-13-19(2)20(3)16-22/h5-16,21H,17H2,1-4H3,(H,26,28)
InChIKeyHUJRUDXMPPAFOF-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.68
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide

2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide (PubChem CID 43891929) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
PubChem CID43891929
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
SMILESCc1cccc(N(CC(=O)NC(C)c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C25H28N2O3S/c1-18-9-8-10-23(15-18)27(31(29,30)24-11-6-5-7-12-24)17-25(28)26-21(4)22-14-13-19(2)20(3)16-22/h5-16,21H,17H2,1-4H3,(H,26,28)
InChIKeyHUJRUDXMPPAFOF-UHFFFAOYSA-N
XLogP4.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 30175041
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43901799
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30210794
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43891906
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 30396613
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-propan-2-ylacetamide
CID 51345236
N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 132659078
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 28632472
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92682522
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92682371
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(1S)-1-(4-tert-butylphenyl)ethyl]acetamide
CID 98053757
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92672635

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide (CID 43891929) is 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide is Cc1cccc(N(CC(=O)NC(C)c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide?
The InChIKey is HUJRUDXMPPAFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-18-9-8-10-23(15-18)27(31(29,30)24-11-6-5-7-12-24)17-25(28)26-21(4)22-14-13-19(2)20(3)16-22/h5-16,21H,17H2,1-4H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide?
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide has a molecular weight of 436.58 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 43891929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).