2,5-diethoxy-N-(2-propylsulfonylethyl)aniline

C15H25NO4S — CID 106722974

IUPAC2,5-diethoxy-N-(2-propylsulfonylethyl)aniline
SMILESCCCS(=O)(=O)CCNc1cc(OCC)ccc1OCC
InChIInChI=1S/C15H25NO4S/c1-4-10-21(17,18)11-9-16-14-12-13(19-5-2)7-8-15(14)20-6-3/h7-8,12,16H,4-6,9-11H2,1-3H3
InChIKeyISDQNVFGJBCLLS-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.72
Rot. Bonds10

About 2,5-diethoxy-N-(2-propylsulfonylethyl)aniline

2,5-diethoxy-N-(2-propylsulfonylethyl)aniline (PubChem CID 106722974) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2,5-diethoxy-N-(2-propylsulfonylethyl)aniline.

Molecular Properties

Compound Name2,5-diethoxy-N-(2-propylsulfonylethyl)aniline
PubChem CID106722974
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name2,5-diethoxy-N-(2-propylsulfonylethyl)aniline
SMILESCCCS(=O)(=O)CCNc1cc(OCC)ccc1OCC
InChIInChI=1S/C15H25NO4S/c1-4-10-21(17,18)11-9-16-14-12-13(19-5-2)7-8-15(14)20-6-3/h7-8,12,16H,4-6,9-11H2,1-3H3
InChIKeyISDQNVFGJBCLLS-UHFFFAOYSA-N
XLogP2.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-diethoxyanilino)butanoic acid
CID 18071438
(2,5-diethoxyphenyl)hydrazine
CID 119006370
4-chloro-2,5-dimethoxy-N-(2-propylsulfonylethyl)aniline
CID 106722958
N-(2,5-diethoxyphenyl)-2-ethylsulfonylbenzamide
CID 33182974
1-butyl-3-(2,5-diethoxyphenyl)urea
CID 115569945
2-(2,5-diethoxyanilino)-N-(2-methoxyethyl)acetamide
CID 60693732
2,5-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527450
N-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide
CID 3792893
2-bromo-N-(2,5-diethoxyphenyl)-4-methylbenzenesulfonamide
CID 35530767
4-propan-2-yloxy-N-(2-propylsulfonylethyl)aniline
CID 106723145
2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine
CID 114110496
N'-(2,5-dimethoxyphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807830

Frequently Asked Questions

What is the IUPAC name of 2,5-diethoxy-N-(2-propylsulfonylethyl)aniline?
The IUPAC name of 2,5-diethoxy-N-(2-propylsulfonylethyl)aniline (CID 106722974) is 2,5-diethoxy-N-(2-propylsulfonylethyl)aniline.
What is the SMILES notation for 2,5-diethoxy-N-(2-propylsulfonylethyl)aniline?
The canonical SMILES for 2,5-diethoxy-N-(2-propylsulfonylethyl)aniline is CCCS(=O)(=O)CCNc1cc(OCC)ccc1OCC.
What is the InChIKey of 2,5-diethoxy-N-(2-propylsulfonylethyl)aniline?
The InChIKey is ISDQNVFGJBCLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-4-10-21(17,18)11-9-16-14-12-13(19-5-2)7-8-15(14)20-6-3/h7-8,12,16H,4-6,9-11H2,1-3H3.
What are the key properties of 2,5-diethoxy-N-(2-propylsulfonylethyl)aniline?
2,5-diethoxy-N-(2-propylsulfonylethyl)aniline has a molecular weight of 315.44 g/mol, XLogP of 2.72, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethoxy-N-(2-propylsulfonylethyl)aniline is sourced from PubChem (CID 106722974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).