N-(2,6-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide

C20H26N2O4S — CID 132659297

IUPACN-(2,6-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)Nc1c(C)cccc1C)N(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-6-18(20(23)21-19-14(2)8-7-9-15(19)3)22(27(5,24)25)16-10-12-17(26-4)13-11-16/h7-13,18H,6H2,1-5H3,(H,21,23)
InChIKeyDFJFZSAHZOQJRZ-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.50
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide

N-(2,6-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide (PubChem CID 132659297) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide
PubChem CID132659297
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-(2,6-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)Nc1c(C)cccc1C)N(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-6-18(20(23)21-19-14(2)8-7-9-15(19)3)22(27(5,24)25)16-10-12-17(26-4)13-11-16/h7-13,18H,6H2,1-5H3,(H,21,23)
InChIKeyDFJFZSAHZOQJRZ-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

2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)butanamide
CID 132667578
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide
CID 95118747
N-(2,4-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 132659291
ethyl 3-[2-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzoate
CID 132670099
ethyl 3-[2-(4-methoxy-N-methylsulfonylanilino)butanoylamino]-2-methylbenzoate
CID 132674389
(2S)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]butanamide
CID 125081985
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide
CID 100523649
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 133252110
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 132662747
methyl 3-[2-(4-ethoxy-N-methylsulfonylanilino)butanoylamino]-2-methylbenzoate
CID 132674395
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)butanamide
CID 132667575
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide
CID 94027641

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide (CID 132659297) is N-(2,6-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide is CCC(C(=O)Nc1c(C)cccc1C)N(c1ccc(OC)cc1)S(C)(=O)=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide?
The InChIKey is DFJFZSAHZOQJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-6-18(20(23)21-19-14(2)8-7-9-15(19)3)22(27(5,24)25)16-10-12-17(26-4)13-11-16/h7-13,18H,6H2,1-5H3,(H,21,23).
What are the key properties of N-(2,6-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide?
N-(2,6-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-(2,6-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 132659297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).