N-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide

C21H28N2O3S — CID 113153846

IUPACN-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-6-17-9-8-10-18(7-2)21(17)22-20(24)14-23(27(5,25)26)19-12-11-15(3)13-16(19)4/h8-13H,6-7,14H2,1-5H3,(H,22,24)
InChIKeyXQCSQMUCKGSTEP-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.83
Rot. Bonds7

About N-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide

N-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 113153846) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
PubChem CID113153846
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-6-17-9-8-10-18(7-2)21(17)22-20(24)14-23(27(5,25)26)19-12-11-15(3)13-16(19)4/h8-13H,6-7,14H2,1-5H3,(H,22,24)
InChIKeyXQCSQMUCKGSTEP-UHFFFAOYSA-N
XLogP3.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154123
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 30168671
2-(N-acetyl-2,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide
CID 113167956
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 30168672
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 126413987
2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113154437
2-(2-chloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113154792
N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43891593
N-(2-chlorophenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1203982
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 2271321
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 4841035
N-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153665

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide (CID 113153846) is N-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide is CCc1cccc(CC)c1NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is XQCSQMUCKGSTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-6-17-9-8-10-18(7-2)21(17)22-20(24)14-23(27(5,25)26)19-12-11-15(3)13-16(19)4/h8-13H,6-7,14H2,1-5H3,(H,22,24).
What are the key properties of N-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide?
N-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 388.53 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113153846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).