3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide

C16H27N3O3S — CID 113138157

IUPAC3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)CCN(CCN(C)C)S(C)(=O)=O
InChIInChI=1S/C16H27N3O3S/c1-13-7-6-8-14(2)16(13)17-15(20)9-10-19(23(5,21)22)12-11-18(3)4/h6-8H,9-12H2,1-5H3,(H,17,20)
InChIKeyUSTQCVSTXHOXFR-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.46
Rot. Bonds8

About 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide

3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide (PubChem CID 113138157) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide
PubChem CID113138157
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)CCN(CCN(C)C)S(C)(=O)=O
InChIInChI=1S/C16H27N3O3S/c1-13-7-6-8-14(2)16(13)17-15(20)9-10-19(23(5,21)22)12-11-18(3)4/h6-8H,9-12H2,1-5H3,(H,17,20)
InChIKeyUSTQCVSTXHOXFR-UHFFFAOYSA-N
XLogP1.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113141183
N-(2,6-dimethylphenyl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113139586
N-(4-bromophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138183
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113142405
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(4-methylphenyl)propanamide
CID 113138377
N-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139253
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
N-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138221
N-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138231
N-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151862
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
CID 113138423
3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methylphenyl)propanamide
CID 113141163

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide?
The IUPAC name of 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide (CID 113138157) is 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide is Cc1cccc(C)c1NC(=O)CCN(CCN(C)C)S(C)(=O)=O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide?
The InChIKey is USTQCVSTXHOXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-13-7-6-8-14(2)16(13)17-15(20)9-10-19(23(5,21)22)12-11-18(3)4/h6-8H,9-12H2,1-5H3,(H,17,20).
What are the key properties of 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide?
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide has a molecular weight of 341.48 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 113138157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).