N-[2-[(R)-tert-butylsulfinyl]ethyl]-4-ethoxybenzamide

C15H23NO3S — CID 96527002

IUPACN-[2-[(R)-tert-butylsulfinyl]ethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC[S@@](=O)C(C)(C)C)cc1
InChIInChI=1S/C15H23NO3S/c1-5-19-13-8-6-12(7-9-13)14(17)16-10-11-20(18)15(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,16,17)/t20-/m1/s1
InChIKeyRTJQOSAYZWUJQR-HXUWFJFHSA-N
MW297.42 g/mol
LogP2.36
Rot. Bonds6

About N-[2-[(R)-tert-butylsulfinyl]ethyl]-4-ethoxybenzamide

N-[2-[(R)-tert-butylsulfinyl]ethyl]-4-ethoxybenzamide (PubChem CID 96527002) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[2-[(R)-tert-butylsulfinyl]ethyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(R)-tert-butylsulfinyl]ethyl]-4-ethoxybenzamide
PubChem CID96527002
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-[2-[(R)-tert-butylsulfinyl]ethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC[S@@](=O)C(C)(C)C)cc1
InChIInChI=1S/C15H23NO3S/c1-5-19-13-8-6-12(7-9-13)14(17)16-10-11-20(18)15(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,16,17)/t20-/m1/s1
InChIKeyRTJQOSAYZWUJQR-HXUWFJFHSA-N
XLogP2.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[(R)-tert-butylsulfinyl]ethyl]-4-ethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(2-tert-butylsulfinylethyl)benzene-1,4-dicarboxamide
CID 119129461
N-[2-[(S)-tert-butylsulfinyl]ethyl]-4-chlorobenzamide
CID 95623408
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide
CID 108540579
N-decyl-4-ethoxybenzamide
CID 4123784
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
N-[2-(dimethylcarbamoylamino)ethyl]-4-ethoxybenzamide
CID 108572043
4-N-(4-ethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045187
4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide
CID 17296274
4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide
CID 108572051
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
4-ethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237098
4-ethoxy-N-(4-hydroxypentyl)benzamide
CID 107299822

Frequently Asked Questions

What is the IUPAC name of N-[2-[(R)-tert-butylsulfinyl]ethyl]-4-ethoxybenzamide?
The IUPAC name of N-[2-[(R)-tert-butylsulfinyl]ethyl]-4-ethoxybenzamide (CID 96527002) is N-[2-[(R)-tert-butylsulfinyl]ethyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[2-[(R)-tert-butylsulfinyl]ethyl]-4-ethoxybenzamide?
The canonical SMILES for N-[2-[(R)-tert-butylsulfinyl]ethyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC[S@@](=O)C(C)(C)C)cc1.
What is the InChIKey of N-[2-[(R)-tert-butylsulfinyl]ethyl]-4-ethoxybenzamide?
The InChIKey is RTJQOSAYZWUJQR-HXUWFJFHSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-5-19-13-8-6-12(7-9-13)14(17)16-10-11-20(18)15(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,16,17)/t20-/m1/s1.
What are the key properties of N-[2-[(R)-tert-butylsulfinyl]ethyl]-4-ethoxybenzamide?
N-[2-[(R)-tert-butylsulfinyl]ethyl]-4-ethoxybenzamide has a molecular weight of 297.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(R)-tert-butylsulfinyl]ethyl]-4-ethoxybenzamide is sourced from PubChem (CID 96527002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).