(2S)-N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide

C20H25NO2S — CID 28631658

IUPAC(2S)-N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCCc1cccc(CC)c1NC(=O)[C@H](C)Sc1ccc(OC)cc1
InChIInChI=1S/C20H25NO2S/c1-5-15-8-7-9-16(6-2)19(15)21-20(22)14(3)24-18-12-10-17(23-4)11-13-18/h7-14H,5-6H2,1-4H3,(H,21,22)/t14-/m0/s1
InChIKeyYTGAIEMYLRXDKB-AWEZNQCLSA-N
MW343.49 g/mol
LogP4.94
Rot. Bonds7

About (2S)-N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide

(2S)-N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 28631658) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is (2S)-N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID28631658
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name(2S)-N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCCc1cccc(CC)c1NC(=O)[C@H](C)Sc1ccc(OC)cc1
InChIInChI=1S/C20H25NO2S/c1-5-15-8-7-9-16(6-2)19(15)21-20(22)14(3)24-18-12-10-17(23-4)11-13-18/h7-14H,5-6H2,1-4H3,(H,21,22)/t14-/m0/s1
InChIKeyYTGAIEMYLRXDKB-AWEZNQCLSA-N
XLogP4.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26649421
(2R)-2-(4-methoxyphenyl)sulfanyl-N-methylpropanamide
CID 30378344
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 22777404
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907596
(2S)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 95083634
N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43876418
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 92676279
(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 27971654
methyl 3-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]benzoate
CID 92672238
(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide
CID 38016340
N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43100763

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide (CID 28631658) is (2S)-N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide is CCc1cccc(CC)c1NC(=O)[C@H](C)Sc1ccc(OC)cc1.
What is the InChIKey of (2S)-N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is YTGAIEMYLRXDKB-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-5-15-8-7-9-16(6-2)19(15)21-20(22)14(3)24-18-12-10-17(23-4)11-13-18/h7-14H,5-6H2,1-4H3,(H,21,22)/t14-/m0/s1.
What are the key properties of (2S)-N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
(2S)-N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 343.49 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 28631658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).