N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2-(4-methylphenoxy)acetamide

C16H26N2O4S — CID 113065617

IUPACN-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2-(4-methylphenoxy)acetamide
SMILESCCC(C)N(CCNC(=O)COc1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-5-14(3)18(23(4,20)21)11-10-17-16(19)12-22-15-8-6-13(2)7-9-15/h6-9,14H,5,10-12H2,1-4H3,(H,17,19)
InChIKeySHJIRCFVSQYYQS-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.55
Rot. Bonds9

About N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2-(4-methylphenoxy)acetamide

N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2-(4-methylphenoxy)acetamide (PubChem CID 113065617) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2-(4-methylphenoxy)acetamide
PubChem CID113065617
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2-(4-methylphenoxy)acetamide
SMILESCCC(C)N(CCNC(=O)COc1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-5-14(3)18(23(4,20)21)11-10-17-16(19)12-22-15-8-6-13(2)7-9-15/h6-9,14H,5,10-12H2,1-4H3,(H,17,19)
InChIKeySHJIRCFVSQYYQS-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-(4-methylphenoxy)acetamide
CID 113065381
N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide
CID 113066843
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113068804
N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113070386
N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 32743662
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113070449
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(4-cyanophenoxy)acetamide
CID 95167799
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 113065645
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide
CID 30128294
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(4-methylphenoxy)acetamide
CID 108574488
N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide
CID 110292109
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 46684568

Frequently Asked Questions

What is the IUPAC name of N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2-(4-methylphenoxy)acetamide (CID 113065617) is N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2-(4-methylphenoxy)acetamide is CCC(C)N(CCNC(=O)COc1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is SHJIRCFVSQYYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-5-14(3)18(23(4,20)21)11-10-17-16(19)12-22-15-8-6-13(2)7-9-15/h6-9,14H,5,10-12H2,1-4H3,(H,17,19).
What are the key properties of N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2-(4-methylphenoxy)acetamide?
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 342.46 g/mol, XLogP of 1.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 113065617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).