N-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

C21H28N2O3S — CID 113154382

IUPACN-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCCN(C(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O)c1cccc(C)c1
InChIInChI=1S/C21H28N2O3S/c1-7-22(19-10-8-9-15(2)13-19)20(24)14-23(27(6,25)26)21-17(4)11-16(3)12-18(21)5/h8-13H,7,14H2,1-6H3
InChIKeyAINOWQYHIKLYEU-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.74
Rot. Bonds6

About N-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

N-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 113154382) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
PubChem CID113154382
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCCN(C(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O)c1cccc(C)c1
InChIInChI=1S/C21H28N2O3S/c1-7-22(19-10-8-9-15(2)13-19)20(24)14-23(27(6,25)26)21-17(4)11-16(3)12-18(21)5/h8-13H,7,14H2,1-6H3
InChIKeyAINOWQYHIKLYEU-UHFFFAOYSA-N
XLogP3.74
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153695
N-ethyl-2-(2-ethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 113154140
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide
CID 113155053
N-ethyl-2-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 113155154
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113154894
N-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide
CID 113002186
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151893
N-ethyl-N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 113002201
N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150932
N,N-dimethyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30256486
ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate
CID 60737731

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (CID 113154382) is N-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is CCN(C(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is AINOWQYHIKLYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-7-22(19-10-8-9-15(2)13-19)20(24)14-23(27(6,25)26)21-17(4)11-16(3)12-18(21)5/h8-13H,7,14H2,1-6H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
N-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 388.53 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113154382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).