(2R)-N-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide

C18H21NO2S — CID 42583664

IUPAC(2R)-N-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCCOc1ccccc1NC(=O)[C@@H](C)Sc1ccc(C)cc1
InChIInChI=1S/C18H21NO2S/c1-4-21-17-8-6-5-7-16(17)19-18(20)14(3)22-15-11-9-13(2)10-12-15/h5-12,14H,4H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyHLQPDDNRPWSNNN-CQSZACIVSA-N
MW315.44 g/mol
LogP4.51
Rot. Bonds6

About (2R)-N-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide

(2R)-N-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 42583664) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is (2R)-N-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID42583664
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name(2R)-N-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCCOc1ccccc1NC(=O)[C@@H](C)Sc1ccc(C)cc1
InChIInChI=1S/C18H21NO2S/c1-4-21-17-8-6-5-7-16(17)19-18(20)14(3)22-15-11-9-13(2)10-12-15/h5-12,14H,4H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyHLQPDDNRPWSNNN-CQSZACIVSA-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

N-(2-ethoxyphenyl)-2-(2-methylphenyl)sulfanylpropanamide
CID 60561490
ethyl 2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzoate
CID 126115639
N-(2-ethoxyphenyl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanamide
CID 22781995
(2S)-N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
CID 1408761
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)propanamide
CID 8985889
methyl 2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzoate
CID 126115619
N-(2-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2976562
N-(2-ethoxyphenyl)-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 55425639
(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide
CID 7228798
N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2950042
(2S)-N-(2-ethoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 7575913
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide (CID 42583664) is (2R)-N-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide is CCOc1ccccc1NC(=O)[C@@H](C)Sc1ccc(C)cc1.
What is the InChIKey of (2R)-N-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is HLQPDDNRPWSNNN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-4-21-17-8-6-5-7-16(17)19-18(20)14(3)22-15-11-9-13(2)10-12-15/h5-12,14H,4H2,1-3H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-N-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
(2R)-N-(2-ethoxyphenyl)-2-(4-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 (2R)-N-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 42583664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).