2-amino-N-[3-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide

C15H24N2O4S — CID 119957064

IUPAC2-amino-N-[3-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide
SMILESCc1ccc(OCCCNC(=O)C(N)CCS(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O4S/c1-12-4-6-13(7-5-12)21-10-3-9-17-15(18)14(16)8-11-22(2,19)20/h4-7,14H,3,8-11,16H2,1-2H3,(H,17,18)
InChIKeyXSNGGCRSQRPUIP-UHFFFAOYSA-N
MW328.43 g/mol
LogP0.64
Rot. Bonds9

About 2-amino-N-[3-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide

2-amino-N-[3-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide (PubChem CID 119957064) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-amino-N-[3-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-[3-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide
PubChem CID119957064
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name2-amino-N-[3-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide
SMILESCc1ccc(OCCCNC(=O)C(N)CCS(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O4S/c1-12-4-6-13(7-5-12)21-10-3-9-17-15(18)14(16)8-11-22(2,19)20/h4-7,14H,3,8-11,16H2,1-2H3,(H,17,18)
InChIKeyXSNGGCRSQRPUIP-UHFFFAOYSA-N
XLogP0.64
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
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

Computed Properties (RDKit)

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

Analyze 2-amino-N-[3-(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]-4-methylsulfonylbutanamide
CID 119956607
2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-4-methylsulfonylbutanamide
CID 119956740
N-[3-(4-methylphenoxy)propyl]acetamide
CID 58966904
2-amino-N-butyl-4-methylsulfonylbutanamide
CID 24690618
2-amino-N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfonylbutanamide
CID 61273619
(2R)-2-amino-4-[2-(4-methylphenoxy)ethylamino]butanoic acid
CID 166106849
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
2-amino-N-[1-(4-methylphenyl)propyl]-4-methylsulfonylbutanamide
CID 43707473
3-amino-N-[3-(4-methylphenoxy)propyl]-3-phenylpropanamide
CID 119950794
2-amino-N-(3-methylsulfinylpropyl)-4-methylsulfonylbutanamide
CID 115751066
N-[2-(4-aminophenoxy)ethyl]-2-methylsulfonylpropanamide
CID 104517296
2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 119956480

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-[3-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide (CID 119957064) is 2-amino-N-[3-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-[3-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-[3-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide is Cc1ccc(OCCCNC(=O)C(N)CCS(C)(=O)=O)cc1.
What is the InChIKey of 2-amino-N-[3-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide?
The InChIKey is XSNGGCRSQRPUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-12-4-6-13(7-5-12)21-10-3-9-17-15(18)14(16)8-11-22(2,19)20/h4-7,14H,3,8-11,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[3-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide?
2-amino-N-[3-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide has a molecular weight of 328.43 g/mol, XLogP of 0.64, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 119957064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).