N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide

C13H19NO5S — CID 110357908

IUPACN-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide
SMILESCCC(=O)NCCS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H19NO5S/c1-4-13(15)14-7-8-20(16,17)10-5-6-11(18-2)12(9-10)19-3/h5-6,9H,4,7-8H2,1-3H3,(H,14,15)
InChIKeyXAJNYFJNRGDLTB-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.00
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide

N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide (PubChem CID 110357908) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide
PubChem CID110357908
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC NameN-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide
SMILESCCC(=O)NCCS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H19NO5S/c1-4-13(15)14-7-8-20(16,17)10-5-6-11(18-2)12(9-10)19-3/h5-6,9H,4,7-8H2,1-3H3,(H,14,15)
InChIKeyXAJNYFJNRGDLTB-UHFFFAOYSA-N
XLogP1.00
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]acetamide
CID 110357937
N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-(4-methylphenyl)propanamide
CID 110356474
N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-phenylbutanamide
CID 110607851
phenyl N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]carbamate
CID 110357956
3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide
CID 110357946
N-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride
CID 119497210
(E)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-2-methyl-3-phenylprop-2-enamide
CID 110410836
N-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide
CID 110415267
3-(3,4-dimethoxyphenyl)sulfonyl-N,N-diethylpropanamide
CID 110414798
3-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide
CID 110424143
3-(3,4-dimethoxyphenyl)sulfonyl-N,N-dipropylpropanamide
CID 110416390
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
CID 110418653

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide (CID 110357908) is N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide is CCC(=O)NCCS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide?
The InChIKey is XAJNYFJNRGDLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-4-13(15)14-7-8-20(16,17)10-5-6-11(18-2)12(9-10)19-3/h5-6,9H,4,7-8H2,1-3H3,(H,14,15).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide?
N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide has a molecular weight of 301.36 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide is sourced from PubChem (CID 110357908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).