N-butyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide

C16H26N2O4S — CID 133210421

IUPACN-butyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
SMILESCCCCNC(=O)C(CC)Oc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C16H26N2O4S/c1-5-7-12-17-16(19)15(6-2)22-14-10-8-13(9-11-14)18(3)23(4,20)21/h8-11,15H,5-7,12H2,1-4H3,(H,17,19)
InChIKeyZMEJDPLSKDKUHN-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.16
Rot. Bonds9

About N-butyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide

N-butyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide (PubChem CID 133210421) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-butyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide.

Molecular Properties

Compound NameN-butyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
PubChem CID133210421
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-butyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
SMILESCCCCNC(=O)C(CC)Oc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C16H26N2O4S/c1-5-7-12-17-16(19)15(6-2)22-14-10-8-13(9-11-14)18(3)23(4,20)21/h8-11,15H,5-7,12H2,1-4H3,(H,17,19)
InChIKeyZMEJDPLSKDKUHN-UHFFFAOYSA-N
XLogP2.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methoxyphenyl)propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133187198
N-[3-(N-methylanilino)propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133162969
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-prop-2-enylbutanamide
CID 133167568
(2R)-N-(2-tert-butylsulfanylethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100651688
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133185613
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[3-(3-methylphenyl)propyl]butanamide
CID 100641683
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(pyridin-4-ylmethyl)butanamide
CID 133210687
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanoic acid
CID 95795032
N-(2-cyclopentylsulfanylethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133161452
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-propan-2-yloxyphenyl)butanamide
CID 133161996
(2S)-N-[(2,5-diethylphenyl)methyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100528695
(2R)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100558238

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide?
The IUPAC name of N-butyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide (CID 133210421) is N-butyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide.
What is the SMILES notation for N-butyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide?
The canonical SMILES for N-butyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide is CCCCNC(=O)C(CC)Oc1ccc(N(C)S(C)(=O)=O)cc1.
What is the InChIKey of N-butyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide?
The InChIKey is ZMEJDPLSKDKUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-5-7-12-17-16(19)15(6-2)22-14-10-8-13(9-11-14)18(3)23(4,20)21/h8-11,15H,5-7,12H2,1-4H3,(H,17,19).
What are the key properties of N-butyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide?
N-butyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide has a molecular weight of 342.46 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide is sourced from PubChem (CID 133210421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).