N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-ethoxyphenyl)propanamide

C19H22N2O3S — CID 55388712

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1CCC(=O)Nc1ccccc1SCC(N)=O
InChIInChI=1S/C19H22N2O3S/c1-2-24-16-9-5-3-7-14(16)11-12-19(23)21-15-8-4-6-10-17(15)25-13-18(20)22/h3-10H,2,11-13H2,1H3,(H2,20,22)(H,21,23)
InChIKeyCYWGPEWUDZOWAO-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.23
Rot. Bonds9

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-ethoxyphenyl)propanamide

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-ethoxyphenyl)propanamide (PubChem CID 55388712) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-ethoxyphenyl)propanamide
PubChem CID55388712
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1CCC(=O)Nc1ccccc1SCC(N)=O
InChIInChI=1S/C19H22N2O3S/c1-2-24-16-9-5-3-7-14(16)11-12-19(23)21-15-8-4-6-10-17(15)25-13-18(20)22/h3-10H,2,11-13H2,1H3,(H2,20,22)(H,21,23)
InChIKeyCYWGPEWUDZOWAO-UHFFFAOYSA-N
XLogP3.23
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-ethoxyphenyl)propanamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-ethoxyphenyl)propanamide (CID 55388712) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-ethoxyphenyl)propanamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-ethoxyphenyl)propanamide is CCOc1ccccc1CCC(=O)Nc1ccccc1SCC(N)=O.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-ethoxyphenyl)propanamide?
The InChIKey is CYWGPEWUDZOWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-2-24-16-9-5-3-7-14(16)11-12-19(23)21-15-8-4-6-10-17(15)25-13-18(20)22/h3-10H,2,11-13H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-ethoxyphenyl)propanamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-ethoxyphenyl)propanamide has a molecular weight of 358.46 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 55388712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).