3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide

C16H27N3O3S — CID 113138161

IUPAC3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCN(CCN(C)C)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C16H27N3O3S/c1-5-19(15-9-7-6-8-10-15)16(20)11-12-18(23(4,21)22)14-13-17(2)3/h6-10H,5,11-14H2,1-4H3
InChIKeyRLAPMCXAKWEUII-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.25
Rot. Bonds9

About 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide

3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide (PubChem CID 113138161) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide
PubChem CID113138161
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCN(CCN(C)C)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C16H27N3O3S/c1-5-19(15-9-7-6-8-10-15)16(20)11-12-18(23(4,21)22)14-13-17(2)3/h6-10H,5,11-14H2,1-4H3
InChIKeyRLAPMCXAKWEUII-UHFFFAOYSA-N
XLogP1.25
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide
CID 113137588
N-ethyl-3-(2-methoxy-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113144524
N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]-N-phenylacetamide
CID 113149508
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138845
3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide
CID 113138656
N-ethyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylacetamide
CID 113152166
N-ethyl-3-(3-methoxy-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113144633
3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide
CID 113138673
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N,N-diethyl-3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]propanamide
CID 113140279
N-ethyl-N-phenyloctadecanamide
CID 151424183
3-(benzenesulfonamido)-N-ethyl-N-phenylpropanamide
CID 17225869

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide?
The IUPAC name of 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide (CID 113138161) is 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide is CCN(C(=O)CCN(CCN(C)C)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide?
The InChIKey is RLAPMCXAKWEUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-5-19(15-9-7-6-8-10-15)16(20)11-12-18(23(4,21)22)14-13-17(2)3/h6-10H,5,11-14H2,1-4H3.
What are the key properties of 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide?
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide has a molecular weight of 341.48 g/mol, XLogP of 1.25, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide is sourced from PubChem (CID 113138161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).