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

C16H26N2O4S — CID 113139569

IUPACN-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
SMILESCOc1ccccc1CN(CCC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-16(2,3)17-15(19)10-11-18(23(5,20)21)12-13-8-6-7-9-14(13)22-4/h6-9H,10-12H2,1-5H3,(H,17,19)
InChIKeyXEHCAQISOXDZSP-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.76
Rot. Bonds7

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

N-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide (PubChem CID 113139569) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
PubChem CID113139569
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
SMILESCOc1ccccc1CN(CCC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-16(2,3)17-15(19)10-11-18(23(5,20)21)12-13-8-6-7-9-14(13)22-4/h6-9H,10-12H2,1-5H3,(H,17,19)
InChIKeyXEHCAQISOXDZSP-UHFFFAOYSA-N
XLogP1.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-3-[(2-methoxyphenyl)methyl-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-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151171
N-tert-butyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152145
N-(2,6-dimethylphenyl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113139586
N-tert-butyl-3-[(3,4-dimethoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113140664
3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide
CID 113139567
N-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144500
N-[3-(azepan-1-yl)-3-oxopropyl]-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 113139575
N-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139783
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113138110
2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-phenylacetamide
CID 113151180
3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113136668
3-[tert-butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113140802

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide?
The IUPAC name of N-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide (CID 113139569) is N-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide is COc1ccccc1CN(CCC(=O)NC(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide?
The InChIKey is XEHCAQISOXDZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-16(2,3)17-15(19)10-11-18(23(5,20)21)12-13-8-6-7-9-14(13)22-4/h6-9H,10-12H2,1-5H3,(H,17,19).
What are the key properties of N-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide?
N-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide has a molecular weight of 342.46 g/mol, XLogP of 1.76, 7 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-methoxyphenyl)methyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113139569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).