(2S)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide

C19H22N2O3S — CID 1412115

IUPAC(2S)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide
SMILESCCOc1ccccc1NC(=O)CS[C@@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-3-24-17-12-8-7-11-16(17)21-18(22)13-25-14(2)19(23)20-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,20,23)(H,21,22)/t14-/m0/s1
InChIKeyLBUPBQYJGQUYJW-AWEZNQCLSA-N
MW358.46 g/mol
LogP3.78
Rot. Bonds8

About (2S)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide

(2S)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide (PubChem CID 1412115) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is (2S)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide
PubChem CID1412115
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name(2S)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide
SMILESCCOc1ccccc1NC(=O)CS[C@@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-3-24-17-12-8-7-11-16(17)21-18(22)13-25-14(2)19(23)20-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,20,23)(H,21,22)/t14-/m0/s1
InChIKeyLBUPBQYJGQUYJW-AWEZNQCLSA-N
XLogP3.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)propanamide
CID 1412133
(2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 1412136
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 1412146
(2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 1412138
(2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 7730463
(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
(2R)-N-(2,6-diethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 7731733
(2R)-2-(2-anilino-2-oxoethyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 7731528
N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236
2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 1180425
(2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 1179845

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide?
The IUPAC name of (2S)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide (CID 1412115) is (2S)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide?
The canonical SMILES for (2S)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide is CCOc1ccccc1NC(=O)CS[C@@H](C)C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide?
The InChIKey is LBUPBQYJGQUYJW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-3-24-17-12-8-7-11-16(17)21-18(22)13-25-14(2)19(23)20-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,20,23)(H,21,22)/t14-/m0/s1.
What are the key properties of (2S)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide?
(2S)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide has a molecular weight of 358.46 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 1412115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).