(2R)-N-(2,6-diethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide

C22H28N2O3S — CID 7731733

IUPAC(2R)-N-(2,6-diethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCCc1cccc(CC)c1NC(=O)[C@@H](C)SCC(=O)Nc1ccccc1OC
InChIInChI=1S/C22H28N2O3S/c1-5-16-10-9-11-17(6-2)21(16)24-22(26)15(3)28-14-20(25)23-18-12-7-8-13-19(18)27-4/h7-13,15H,5-6,14H2,1-4H3,(H,23,25)(H,24,26)/t15-/m1/s1
InChIKeyZXRKCKMQDVZSPY-OAHLLOKOSA-N
MW400.54 g/mol
LogP4.52
Rot. Bonds9

About (2R)-N-(2,6-diethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide

(2R)-N-(2,6-diethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide (PubChem CID 7731733) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is (2R)-N-(2,6-diethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2,6-diethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
PubChem CID7731733
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name(2R)-N-(2,6-diethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCCc1cccc(CC)c1NC(=O)[C@@H](C)SCC(=O)Nc1ccccc1OC
InChIInChI=1S/C22H28N2O3S/c1-5-16-10-9-11-17(6-2)21(16)24-22(26)15(3)28-14-20(25)23-18-12-7-8-13-19(18)27-4/h7-13,15H,5-6,14H2,1-4H3,(H,23,25)(H,24,26)/t15-/m1/s1
InChIKeyZXRKCKMQDVZSPY-OAHLLOKOSA-N
XLogP4.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 1412136
(2S)-N-(4-chlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 7731710
N-(3,5-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 44639868
N-(2,5-dimethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 44639859
(2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 7730463
(2R)-N-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 7731757
N-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 44639864
N-(2,6-diethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 4257905
(2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 1412138
(2S)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide
CID 1412115
3-(2,6-diethylanilino)-N-(2-methoxyphenyl)propanamide
CID 109037115
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 1412146

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,6-diethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide?
The IUPAC name of (2R)-N-(2,6-diethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide (CID 7731733) is (2R)-N-(2,6-diethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(2,6-diethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide?
The canonical SMILES for (2R)-N-(2,6-diethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide is CCc1cccc(CC)c1NC(=O)[C@@H](C)SCC(=O)Nc1ccccc1OC.
What is the InChIKey of (2R)-N-(2,6-diethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide?
The InChIKey is ZXRKCKMQDVZSPY-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-5-16-10-9-11-17(6-2)21(16)24-22(26)15(3)28-14-20(25)23-18-12-7-8-13-19(18)27-4/h7-13,15H,5-6,14H2,1-4H3,(H,23,25)(H,24,26)/t15-/m1/s1.
What are the key properties of (2R)-N-(2,6-diethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide?
(2R)-N-(2,6-diethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide has a molecular weight of 400.54 g/mol, XLogP of 4.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,6-diethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide is sourced from PubChem (CID 7731733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).