N-(2,4-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide

C20H26N2O4S — CID 132659291

IUPACN-(2,4-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)Nc1ccc(C)cc1C)N(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-6-19(20(23)21-18-12-7-14(2)13-15(18)3)22(27(5,24)25)16-8-10-17(26-4)11-9-16/h7-13,19H,6H2,1-5H3,(H,21,23)
InChIKeyYLQZUTIOQLMWJD-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.50
Rot. Bonds7

About N-(2,4-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide

N-(2,4-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide (PubChem CID 132659291) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide
PubChem CID132659291
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-(2,4-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)Nc1ccc(C)cc1C)N(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-6-19(20(23)21-18-12-7-14(2)13-15(18)3)22(27(5,24)25)16-8-10-17(26-4)11-9-16/h7-13,19H,6H2,1-5H3,(H,21,23)
InChIKeyYLQZUTIOQLMWJD-UHFFFAOYSA-N
XLogP3.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 132659297
N-(2,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 132666284
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide
CID 95118747
ethyl 3-[2-(4-methoxy-N-methylsulfonylanilino)butanoylamino]-2-methylbenzoate
CID 132674389
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 133229474
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide
CID 132658860
(2S)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]butanamide
CID 125081985
(2R)-N-[2-(2,5-dimethylphenoxy)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 125071864
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)butanamide
CID 132673402
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]butanamide
CID 132662287
N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 133200028
ethyl 3-[2-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzoate
CID 132670099

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide (CID 132659291) is N-(2,4-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide is CCC(C(=O)Nc1ccc(C)cc1C)N(c1ccc(OC)cc1)S(C)(=O)=O.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide?
The InChIKey is YLQZUTIOQLMWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-6-19(20(23)21-18-12-7-14(2)13-15(18)3)22(27(5,24)25)16-8-10-17(26-4)11-9-16/h7-13,19H,6H2,1-5H3,(H,21,23).
What are the key properties of N-(2,4-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide?
N-(2,4-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide has a molecular weight of 390.51 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 132659291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).