N-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide

C16H28N2O3S — CID 110620333

IUPACN-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide
SMILESCCN(CC)C(C)CNS(=O)(=O)CCc1cccc(OC)c1
InChIInChI=1S/C16H28N2O3S/c1-5-18(6-2)14(3)13-17-22(19,20)11-10-15-8-7-9-16(12-15)21-4/h7-9,12,14,17H,5-6,10-11,13H2,1-4H3
InChIKeyJOWUUFQEZOSYES-UHFFFAOYSA-N
MW328.48 g/mol
LogP1.89
Rot. Bonds10

About N-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide

N-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide (PubChem CID 110620333) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide
PubChem CID110620333
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC NameN-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide
SMILESCCN(CC)C(C)CNS(=O)(=O)CCc1cccc(OC)c1
InChIInChI=1S/C16H28N2O3S/c1-5-18(6-2)14(3)13-17-22(19,20)11-10-15-8-7-9-16(12-15)21-4/h7-9,12,14,17H,5-6,10-11,13H2,1-4H3
InChIKeyJOWUUFQEZOSYES-UHFFFAOYSA-N
XLogP1.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408872
2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide
CID 110406486
N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408195
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide
CID 47387137
N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110409723
N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110626462
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110412902
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110606554
1-(ethylamino)-N-[2-(3-methoxyphenyl)ethyl]propane-2-sulfonamide
CID 106087679
3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide
CID 54911342
N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110423119
N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
CID 112503701

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide?
The IUPAC name of N-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide (CID 110620333) is N-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide is CCN(CC)C(C)CNS(=O)(=O)CCc1cccc(OC)c1.
What is the InChIKey of N-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide?
The InChIKey is JOWUUFQEZOSYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S/c1-5-18(6-2)14(3)13-17-22(19,20)11-10-15-8-7-9-16(12-15)21-4/h7-9,12,14,17H,5-6,10-11,13H2,1-4H3.
What are the key properties of N-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide?
N-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide has a molecular weight of 328.48 g/mol, XLogP of 1.89, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 110620333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).