(2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide

C20H24N2O4S — CID 7730463

IUPAC(2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C20H24N2O4S/c1-4-26-16-11-9-15(10-12-16)21-19(23)13-27-14(2)20(24)22-17-7-5-6-8-18(17)25-3/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyHFQNHQQEYYTNNG-AWEZNQCLSA-N
MW388.49 g/mol
LogP3.79
Rot. Bonds9

About (2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide

(2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide (PubChem CID 7730463) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is (2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide
PubChem CID7730463
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name(2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C20H24N2O4S/c1-4-26-16-11-9-15(10-12-16)21-19(23)13-27-14(2)20(24)22-17-7-5-6-8-18(17)25-3/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyHFQNHQQEYYTNNG-AWEZNQCLSA-N
XLogP3.79
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 1412136
(2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 1179845
(2S)-N-(2,3-dimethylphenyl)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 7730417
(2S)-N-(4-chlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 7731710
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 7730491
(2S)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide
CID 1412115
(2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)propanamide
CID 1412133
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 1412146
N-(4-ethoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 9080558
(2R)-N-(2,6-diethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 7731733
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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide (CID 7730463) is (2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide is CCOc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccccc2OC)cc1.
What is the InChIKey of (2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide?
The InChIKey is HFQNHQQEYYTNNG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-4-26-16-11-9-15(10-12-16)21-19(23)13-27-14(2)20(24)22-17-7-5-6-8-18(17)25-3/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24)/t14-/m0/s1.
What are the key properties of (2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide?
(2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide has a molecular weight of 388.49 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 7730463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).