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

C15H24N2O4S — CID 113151171

IUPACN-tert-butyl-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
SMILESCOc1ccccc1CN(CC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-15(2,3)16-14(18)11-17(22(5,19)20)10-12-8-6-7-9-13(12)21-4/h6-9H,10-11H2,1-5H3,(H,16,18)
InChIKeyIOYHKLUYYQYJQV-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.37
Rot. Bonds6

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

N-tert-butyl-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 113151171) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
PubChem CID113151171
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-tert-butyl-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
SMILESCOc1ccccc1CN(CC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-15(2,3)16-14(18)11-17(22(5,19)20)10-12-8-6-7-9-13(12)21-4/h6-9H,10-11H2,1-5H3,(H,16,18)
InChIKeyIOYHKLUYYQYJQV-UHFFFAOYSA-N
XLogP1.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide 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-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152145
N-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113139569
2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-phenylacetamide
CID 113151180
N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151204
N-tert-butyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151280
N-(4-acetylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151216
2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113151199
2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 113151198
N-(5-chloro-2-methylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151206
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 113151179
N-[3-(2-methoxyphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100512988
N-tert-butyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide
CID 113150306

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide (CID 113151171) is N-tert-butyl-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide is COc1ccccc1CN(CC(=O)NC(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is IOYHKLUYYQYJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-15(2,3)16-14(18)11-17(22(5,19)20)10-12-8-6-7-9-13(12)21-4/h6-9H,10-11H2,1-5H3,(H,16,18).
What are the key properties of N-tert-butyl-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide?
N-tert-butyl-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 328.43 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113151171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).