2-amino-N-[2-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide

C15H24N2O4S — CID 119956607

IUPAC2-amino-N-[2-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide
SMILESCc1ccc(OC(C)CNC(=O)C(N)CCS(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O4S/c1-11-4-6-13(7-5-11)21-12(2)10-17-15(18)14(16)8-9-22(3,19)20/h4-7,12,14H,8-10,16H2,1-3H3,(H,17,18)
InChIKeySUHUIDAARLFRQH-UHFFFAOYSA-N
MW328.43 g/mol
LogP0.64
Rot. Bonds8

About 2-amino-N-[2-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide

2-amino-N-[2-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide (PubChem CID 119956607) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-amino-N-[2-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide
PubChem CID119956607
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name2-amino-N-[2-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide
SMILESCc1ccc(OC(C)CNC(=O)C(N)CCS(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O4S/c1-11-4-6-13(7-5-11)21-12(2)10-17-15(18)14(16)8-9-22(3,19)20/h4-7,12,14H,8-10,16H2,1-3H3,(H,17,18)
InChIKeySUHUIDAARLFRQH-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[2-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[2-(4-methylphenoxy)propyl]pentanamide;hydrochloride
CID 119290513
2-amino-N-[2-(3-bromophenoxy)propyl]-4-methylsulfonylbutanamide
CID 119957614
2-amino-N-[3-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide
CID 119957064
2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide
CID 102694855
2-amino-N-[2-(4-methylphenoxy)propyl]-2-(4-methylphenyl)acetamide
CID 120667389
2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119957690
2-amino-4-methylsulfonyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 43123167
2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide
CID 119956068
(2S)-2-amino-N-[2-(3-methylphenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119335742
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide
CID 54913489
2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide
CID 66091622

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-[2-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide (CID 119956607) is 2-amino-N-[2-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-[2-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide is Cc1ccc(OC(C)CNC(=O)C(N)CCS(C)(=O)=O)cc1.
What is the InChIKey of 2-amino-N-[2-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide?
The InChIKey is SUHUIDAARLFRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-11-4-6-13(7-5-11)21-12(2)10-17-15(18)14(16)8-9-22(3,19)20/h4-7,12,14H,8-10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-[2-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide?
2-amino-N-[2-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide has a molecular weight of 328.43 g/mol, XLogP of 0.64, 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-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 119956607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).