3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide

C16H27N3O4S — CID 113138110

IUPAC3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCN(CCN(C)C)S(C)(=O)=O
InChIInChI=1S/C16H27N3O4S/c1-18(2)11-12-19(24(4,21)22)10-9-16(20)17-13-14-7-5-6-8-15(14)23-3/h5-8H,9-13H2,1-4H3,(H,17,20)
InChIKeyNOINXXWNHJYCIE-UHFFFAOYSA-N
MW357.48 g/mol
LogP0.52
Rot. Bonds10

About 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide

3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 113138110) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID113138110
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC Name3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCN(CCN(C)C)S(C)(=O)=O
InChIInChI=1S/C16H27N3O4S/c1-18(2)11-12-19(24(4,21)22)10-9-16(20)17-13-14-7-5-6-8-15(14)23-3/h5-8H,9-13H2,1-4H3,(H,17,20)
InChIKeyNOINXXWNHJYCIE-UHFFFAOYSA-N
XLogP0.52
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113136668
3-[tert-butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113140802
N-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138353
N-[(2-methoxyphenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148464
3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021987
3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide
CID 113139567
3-(3-fluoro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 113145922
3-(4-cyano-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 113146965
N-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113139569
2-[3-(dimethylamino)propylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 108995055
3-[acetyl(butan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116141
2-[cyclopropyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113147875

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide (CID 113138110) is 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)CCN(CCN(C)C)S(C)(=O)=O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is NOINXXWNHJYCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-18(2)11-12-19(24(4,21)22)10-9-16(20)17-13-14-7-5-6-8-15(14)23-3/h5-8H,9-13H2,1-4H3,(H,17,20).
What are the key properties of 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide?
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 357.48 g/mol, XLogP of 0.52, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 113138110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).