2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-pentylpropanamide

C20H33N3O5S — CID 133213477

IUPAC2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C20H33N3O5S/c1-6-7-8-13-21-20(25)16(2)23(19(24)15-22(3)29(5,26)27)14-17-9-11-18(28-4)12-10-17/h9-12,16H,6-8,13-15H2,1-5H3,(H,21,25)
InChIKeyQOARKYUWQSACFU-UHFFFAOYSA-N
MW427.57 g/mol
LogP1.61
Rot. Bonds12

About 2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-pentylpropanamide

2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-pentylpropanamide (PubChem CID 133213477) has the molecular formula C20H33N3O5S and a molecular weight of 427.57 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-pentylpropanamide
PubChem CID133213477
Molecular FormulaC20H33N3O5S
Molecular Weight427.57 g/mol
Exact Mass427.21
IUPAC Name2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C20H33N3O5S/c1-6-7-8-13-21-20(25)16(2)23(19(24)15-22(3)29(5,26)27)14-17-9-11-18(28-4)12-10-17/h9-12,16H,6-8,13-15H2,1-5H3,(H,21,25)
InChIKeyQOARKYUWQSACFU-UHFFFAOYSA-N
XLogP1.61
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-pentylpropanamide 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-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-pentyl-3-phenylpropanamide
CID 133236484
2-[benzyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 133148845
(2R)-N-benzyl-2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]propanamide
CID 125046161
N-butyl-2-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132727033
N-butyl-2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132726570
2-[(4-methoxyphenyl)methyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide
CID 132944062
N-butyl-2-[(4-methoxyphenyl)methyl-[2-(2,4,5-trichloro-N-methylsulfonylanilino)acetyl]amino]propanamide
CID 132745280
N-butyl-2-[[2-(2,5-dimethoxy-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132734826
N-butyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132726793
N-butyl-2-[[2-(2,3-dimethyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132726558
2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide
CID 133213644
(2R)-2-[(4-methoxyphenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-propylpropanamide
CID 100528696

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-pentylpropanamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-pentylpropanamide (CID 133213477) is 2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-pentylpropanamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-pentylpropanamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-pentylpropanamide is CCCCCNC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-pentylpropanamide?
The InChIKey is QOARKYUWQSACFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O5S/c1-6-7-8-13-21-20(25)16(2)23(19(24)15-22(3)29(5,26)27)14-17-9-11-18(28-4)12-10-17/h9-12,16H,6-8,13-15H2,1-5H3,(H,21,25).
What are the key properties of 2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-pentylpropanamide?
2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-pentylpropanamide has a molecular weight of 427.57 g/mol, XLogP of 1.61, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-pentylpropanamide is sourced from PubChem (CID 133213477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).