3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide

C14H22N2O4S — CID 18104811

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNS(=O)(=O)c1ccc(OCC)cc1
InChIInChI=1S/C14H22N2O4S/c1-3-10-15-14(17)9-11-16-21(18,19)13-7-5-12(6-8-13)20-4-2/h5-8,16H,3-4,9-11H2,1-2H3,(H,15,17)
InChIKeyCSYJHXDKLVCQPI-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.28
Rot. Bonds9

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide (PubChem CID 18104811) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
PubChem CID18104811
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNS(=O)(=O)c1ccc(OCC)cc1
InChIInChI=1S/C14H22N2O4S/c1-3-10-15-14(17)9-11-16-21(18,19)13-7-5-12(6-8-13)20-4-2/h5-8,16H,3-4,9-11H2,1-2H3,(H,15,17)
InChIKeyCSYJHXDKLVCQPI-UHFFFAOYSA-N
XLogP1.28
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 119408093
N-[2-(2,6-dimethylphenoxy)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55724577
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120653177
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55723405
N-[(2R)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458972
N-[(2S)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458973
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 27514876
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenoxy)ethyl]propanamide
CID 46461279
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 51214621
(2S)-2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119238344
3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide
CID 108574321
N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 43001637

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide (CID 18104811) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide is CCCNC(=O)CCNS(=O)(=O)c1ccc(OCC)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide?
The InChIKey is CSYJHXDKLVCQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-3-10-15-14(17)9-11-16-21(18,19)13-7-5-12(6-8-13)20-4-2/h5-8,16H,3-4,9-11H2,1-2H3,(H,15,17).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide has a molecular weight of 314.41 g/mol, XLogP of 1.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 18104811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).