N-tert-butyl-3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]propanamide

C17H28N2O4S — CID 113140479

IUPACN-tert-butyl-3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]propanamide
SMILESCOc1ccc(CCN(CCC(=O)NC(C)(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C17H28N2O4S/c1-17(2,3)18-16(20)11-13-19(24(5,21)22)12-10-14-6-8-15(23-4)9-7-14/h6-9H,10-13H2,1-5H3,(H,18,20)
InChIKeyVSYPVFCWJSVVQG-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.80
Rot. Bonds8

About N-tert-butyl-3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]propanamide

N-tert-butyl-3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]propanamide (PubChem CID 113140479) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-tert-butyl-3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]propanamide
PubChem CID113140479
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC NameN-tert-butyl-3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]propanamide
SMILESCOc1ccc(CCN(CCC(=O)NC(C)(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C17H28N2O4S/c1-17(2,3)18-16(20)11-13-19(24(5,21)22)12-10-14-6-8-15(23-4)9-7-14/h6-9H,10-13H2,1-5H3,(H,18,20)
InChIKeyVSYPVFCWJSVVQG-UHFFFAOYSA-N
XLogP1.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]propanamide 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

N-tert-butyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151280
N-tert-butyl-3-[(3,4-dimethoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113140664
N-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025890
3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylpropanamide
CID 113140488
N-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113139569
N-tert-butyl-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138136
2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-(2-methylphenyl)acetamide
CID 113152301
N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135977
N-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152263
2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 113152600
N-tert-butyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138369
N-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide
CID 113137885

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]propanamide?
The IUPAC name of N-tert-butyl-3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]propanamide (CID 113140479) is N-tert-butyl-3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-tert-butyl-3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]propanamide is COc1ccc(CCN(CCC(=O)NC(C)(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of N-tert-butyl-3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]propanamide?
The InChIKey is VSYPVFCWJSVVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-17(2,3)18-16(20)11-13-19(24(5,21)22)12-10-14-6-8-15(23-4)9-7-14/h6-9H,10-13H2,1-5H3,(H,18,20).
What are the key properties of N-tert-butyl-3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]propanamide?
N-tert-butyl-3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]propanamide has a molecular weight of 356.49 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113140479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).