N-(2-ethoxyphenyl)-2-(2-methylphenyl)sulfanylpropanamide

C18H21NO2S — CID 60561490

IUPACN-(2-ethoxyphenyl)-2-(2-methylphenyl)sulfanylpropanamide
SMILESCCOc1ccccc1NC(=O)C(C)Sc1ccccc1C
InChIInChI=1S/C18H21NO2S/c1-4-21-16-11-7-6-10-15(16)19-18(20)14(3)22-17-12-8-5-9-13(17)2/h5-12,14H,4H2,1-3H3,(H,19,20)
InChIKeyOBMZIRIJWVWOFY-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.51
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-(2-methylphenyl)sulfanylpropanamide

N-(2-ethoxyphenyl)-2-(2-methylphenyl)sulfanylpropanamide (PubChem CID 60561490) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(2-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(2-methylphenyl)sulfanylpropanamide
PubChem CID60561490
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-(2-ethoxyphenyl)-2-(2-methylphenyl)sulfanylpropanamide
SMILESCCOc1ccccc1NC(=O)C(C)Sc1ccccc1C
InChIInChI=1S/C18H21NO2S/c1-4-21-16-11-7-6-10-15(16)19-18(20)14(3)22-17-12-8-5-9-13(17)2/h5-12,14H,4H2,1-3H3,(H,19,20)
InChIKeyOBMZIRIJWVWOFY-UHFFFAOYSA-N
XLogP4.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 42583664
(2S)-N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
CID 1408761
(2R)-N-(2-ethoxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837498
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)propanamide
CID 8985889
(2S)-N-(2-ethoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 7575913
(2S)-N-(2-ethoxyphenyl)-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]propanamide
CID 42353238
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
N-(2-ethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 46629614
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
(2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 1412136
N-(2-ethoxyphenyl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanamide
CID 22781995
ethyl 2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 8546300

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(2-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(2-methylphenyl)sulfanylpropanamide (CID 60561490) is N-(2-ethoxyphenyl)-2-(2-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(2-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(2-methylphenyl)sulfanylpropanamide is CCOc1ccccc1NC(=O)C(C)Sc1ccccc1C.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(2-methylphenyl)sulfanylpropanamide?
The InChIKey is OBMZIRIJWVWOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-4-21-16-11-7-6-10-15(16)19-18(20)14(3)22-17-12-8-5-9-13(17)2/h5-12,14H,4H2,1-3H3,(H,19,20).
What are the key properties of N-(2-ethoxyphenyl)-2-(2-methylphenyl)sulfanylpropanamide?
N-(2-ethoxyphenyl)-2-(2-methylphenyl)sulfanylpropanamide has a molecular weight of 315.44 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(2-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 60561490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).