2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide

C21H28N2O3S — CID 132658860

IUPAC2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide
SMILESCCC(C(=O)Nc1cc(C)ccc1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-7-20(21(24)22-19-13-14(2)8-9-17(19)5)23(27(6,25)26)18-11-15(3)10-16(4)12-18/h8-13,20H,7H2,1-6H3,(H,22,24)
InChIKeyUSUMTWSZPOMOHR-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.10
Rot. Bonds6

About 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide

2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide (PubChem CID 132658860) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide
PubChem CID132658860
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide
SMILESCCC(C(=O)Nc1cc(C)ccc1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-7-20(21(24)22-19-13-14(2)8-9-17(19)5)23(27(6,25)26)18-11-15(3)10-16(4)12-18/h8-13,20H,7H2,1-6H3,(H,22,24)
InChIKeyUSUMTWSZPOMOHR-UHFFFAOYSA-N
XLogP4.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide
CID 132668652
ethyl 4-methyl-3-[2-(3-methyl-N-methylsulfonylanilino)butanoylamino]benzoate
CID 132669546
2-[2-(3,5-dimethyl-N-methylsulfonylanilino)butanoylamino]-N-propylbenzamide
CID 132673565
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 132667648
N-(2,4-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 132659291
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)butanamide
CID 132666046
N-(2-bromophenyl)-2-(3-methyl-N-methylsulfonylanilino)butanamide
CID 132667710
N-(3-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 132660103
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]butanamide
CID 132668306
methyl 4-[2-(3,5-dimethyl-N-methylsulfonylanilino)butanoylamino]benzoate
CID 132665628
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]butanamide
CID 100571012
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanoic acid
CID 124861253

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide?
The IUPAC name of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide (CID 132658860) is 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide.
What is the SMILES notation for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide?
The canonical SMILES for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide is CCC(C(=O)Nc1cc(C)ccc1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide?
The InChIKey is USUMTWSZPOMOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-7-20(21(24)22-19-13-14(2)8-9-17(19)5)23(27(6,25)26)18-11-15(3)10-16(4)12-18/h8-13,20H,7H2,1-6H3,(H,22,24).
What are the key properties of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide?
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide has a molecular weight of 388.53 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide is sourced from PubChem (CID 132658860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).