N-(4-ethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide

C18H21NO2S — CID 2194207

IUPACN-(4-ethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide
SMILESCCOc1ccc(NC(=O)CCSc2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO2S/c1-3-21-16-8-6-15(7-9-16)19-18(20)12-13-22-17-10-4-14(2)5-11-17/h4-11H,3,12-13H2,1-2H3,(H,19,20)
InChIKeyLCPDSUCKKIVGQP-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.51
Rot. Bonds7

About N-(4-ethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide

N-(4-ethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 2194207) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID2194207
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-(4-ethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide
SMILESCCOc1ccc(NC(=O)CCSc2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO2S/c1-3-21-16-8-6-15(7-9-16)19-18(20)12-13-22-17-10-4-14(2)5-11-17/h4-11H,3,12-13H2,1-2H3,(H,19,20)
InChIKeyLCPDSUCKKIVGQP-UHFFFAOYSA-N
XLogP4.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide (CID 2194207) is N-(4-ethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide is CCOc1ccc(NC(=O)CCSc2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is LCPDSUCKKIVGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-3-21-16-8-6-15(7-9-16)19-18(20)12-13-22-17-10-4-14(2)5-11-17/h4-11H,3,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-(4-ethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide?
N-(4-ethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 315.44 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 2194207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).