2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-4-methylsulfonylbutanamide

C15H24N2O4S — CID 119956740

IUPAC2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-4-methylsulfonylbutanamide
SMILESCc1cccc(C)c1OCCNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-11-5-4-6-12(2)14(11)21-9-8-17-15(18)13(16)7-10-22(3,19)20/h4-6,13H,7-10,16H2,1-3H3,(H,17,18)
InChIKeyQZUXAFCSIRRHEH-UHFFFAOYSA-N
MW328.43 g/mol
LogP0.56
Rot. Bonds8

About 2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-4-methylsulfonylbutanamide

2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-4-methylsulfonylbutanamide (PubChem CID 119956740) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-4-methylsulfonylbutanamide
PubChem CID119956740
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-4-methylsulfonylbutanamide
SMILESCc1cccc(C)c1OCCNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-11-5-4-6-12(2)14(11)21-9-8-17-15(18)13(16)7-10-22(3,19)20/h4-6,13H,7-10,16H2,1-3H3,(H,17,18)
InChIKeyQZUXAFCSIRRHEH-UHFFFAOYSA-N
XLogP0.56
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide
CID 119957064
2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylpentanamide;hydrochloride
CID 119734945
2-amino-4-methylsulfonyl-N-(3-phenylbutyl)butanamide
CID 62987343
3-(2,6-dimethylphenoxy)propylurea
CID 119091227
N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanamide
CID 113100718
2-amino-N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfonylbutanamide
CID 61273619
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide
CID 119956068
2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 119956480
2-amino-N-(5-bromo-2-methylphenyl)-4-methylsulfonylbutanamide
CID 43712537
[4-[[[(2S)-2-amino-4-methylsulfonylbutanoyl]amino]methyl]phenyl]carbamic acid
CID 146417937
2-amino-N-[2-(3-bromophenoxy)propyl]-4-methylsulfonylbutanamide
CID 119957614

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-4-methylsulfonylbutanamide (CID 119956740) is 2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-4-methylsulfonylbutanamide is Cc1cccc(C)c1OCCNC(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-4-methylsulfonylbutanamide?
The InChIKey is QZUXAFCSIRRHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-11-5-4-6-12(2)14(11)21-9-8-17-15(18)13(16)7-10-22(3,19)20/h4-6,13H,7-10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-4-methylsulfonylbutanamide?
2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-4-methylsulfonylbutanamide has a molecular weight of 328.43 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 119956740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).