4-N-(2-tert-butylsulfinylethyl)benzene-1,4-dicarboxamide

C14H20N2O3S — CID 119129461

IUPAC4-N-(2-tert-butylsulfinylethyl)benzene-1,4-dicarboxamide
SMILESCC(C)(C)S(=O)CCNC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-14(2,3)20(19)9-8-16-13(18)11-6-4-10(5-7-11)12(15)17/h4-7H,8-9H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyXWGANLUSWURMTA-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.06
Rot. Bonds5

About 4-N-(2-tert-butylsulfinylethyl)benzene-1,4-dicarboxamide

4-N-(2-tert-butylsulfinylethyl)benzene-1,4-dicarboxamide (PubChem CID 119129461) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-N-(2-tert-butylsulfinylethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-tert-butylsulfinylethyl)benzene-1,4-dicarboxamide
PubChem CID119129461
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-N-(2-tert-butylsulfinylethyl)benzene-1,4-dicarboxamide
SMILESCC(C)(C)S(=O)CCNC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-14(2,3)20(19)9-8-16-13(18)11-6-4-10(5-7-11)12(15)17/h4-7H,8-9H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyXWGANLUSWURMTA-UHFFFAOYSA-N
XLogP1.06
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(S)-tert-butylsulfinyl]ethyl]-4-chlorobenzamide
CID 95623408
N-[2-[(R)-tert-butylsulfinyl]ethyl]-4-ethoxybenzamide
CID 96527002
4-(2-tert-butylsulfinylethylcarbamoyl)pyridine-2-carboxylic acid
CID 119185141
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide
CID 154348827
4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride
CID 119508553
4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide;2,3,3,5-tetramethylhexane
CID 166130917
4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide
CID 103772906
4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide
CID 115703395
ethane;N-(3-hydroxypropyl)-4-methylbenzamide;4-methylbenzamide
CID 143035952
4-[(4-carbamoylbenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66003486
4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide
CID 83059637

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-tert-butylsulfinylethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-tert-butylsulfinylethyl)benzene-1,4-dicarboxamide (CID 119129461) is 4-N-(2-tert-butylsulfinylethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-tert-butylsulfinylethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-tert-butylsulfinylethyl)benzene-1,4-dicarboxamide is CC(C)(C)S(=O)CCNC(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-N-(2-tert-butylsulfinylethyl)benzene-1,4-dicarboxamide?
The InChIKey is XWGANLUSWURMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-14(2,3)20(19)9-8-16-13(18)11-6-4-10(5-7-11)12(15)17/h4-7H,8-9H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of 4-N-(2-tert-butylsulfinylethyl)benzene-1,4-dicarboxamide?
4-N-(2-tert-butylsulfinylethyl)benzene-1,4-dicarboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-tert-butylsulfinylethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 119129461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).