N-(2,6-dimethylphenyl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide

C20H26N2O4S — CID 113139586

IUPACN-(2,6-dimethylphenyl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
SMILESCOc1ccccc1CN(CCC(=O)Nc1c(C)cccc1C)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-15-8-7-9-16(2)20(15)21-19(23)12-13-22(27(4,24)25)14-17-10-5-6-11-18(17)26-3/h5-11H,12-14H2,1-4H3,(H,21,23)
InChIKeyCCBUXHKZFUOFHX-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.10
Rot. Bonds8

About N-(2,6-dimethylphenyl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide

N-(2,6-dimethylphenyl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide (PubChem CID 113139586) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
PubChem CID113139586
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-(2,6-dimethylphenyl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
SMILESCOc1ccccc1CN(CCC(=O)Nc1c(C)cccc1C)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-15-8-7-9-16(2)20(15)21-19(23)12-13-22(27(4,24)25)14-17-10-5-6-11-18(17)26-3/h5-11H,12-14H2,1-4H3,(H,21,23)
InChIKeyCCBUXHKZFUOFHX-UHFFFAOYSA-N
XLogP3.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113139569
2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113151199
N-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139253
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 113138157
3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide
CID 113139567
N-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138799
N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138800
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113119796
2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-phenylacetamide
CID 113151180
N-[3-(azepan-1-yl)-3-oxopropyl]-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 113139575
N-tert-butyl-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151171
N-(3-fluorophenyl)-3-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]propanamide
CID 113140419

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide (CID 113139586) is N-(2,6-dimethylphenyl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide is COc1ccccc1CN(CCC(=O)Nc1c(C)cccc1C)S(C)(=O)=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide?
The InChIKey is CCBUXHKZFUOFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15-8-7-9-16(2)20(15)21-19(23)12-13-22(27(4,24)25)14-17-10-5-6-11-18(17)26-3/h5-11H,12-14H2,1-4H3,(H,21,23).
What are the key properties of N-(2,6-dimethylphenyl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide?
N-(2,6-dimethylphenyl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide has a molecular weight of 390.51 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113139586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).