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

C20H24N2O4S — CID 1412136

IUPAC(2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CS[C@H](C)C(=O)Nc1ccccc1OC
InChIInChI=1S/C20H24N2O4S/c1-4-26-18-12-8-6-10-16(18)21-19(23)13-27-14(2)20(24)22-15-9-5-7-11-17(15)25-3/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24)/t14-/m1/s1
InChIKeyFRMHFNLBZSYJCD-CQSZACIVSA-N
MW388.49 g/mol
LogP3.79
Rot. Bonds9

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

(2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide (PubChem CID 1412136) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is (2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide
PubChem CID1412136
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name(2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CS[C@H](C)C(=O)Nc1ccccc1OC
InChIInChI=1S/C20H24N2O4S/c1-4-26-18-12-8-6-10-16(18)21-19(23)13-27-14(2)20(24)22-15-9-5-7-11-17(15)25-3/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24)/t14-/m1/s1
InChIKeyFRMHFNLBZSYJCD-CQSZACIVSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide?
The IUPAC name of (2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide (CID 1412136) is (2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CS[C@H](C)C(=O)Nc1ccccc1OC.
What is the InChIKey of (2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide?
The InChIKey is FRMHFNLBZSYJCD-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-4-26-18-12-8-6-10-16(18)21-19(23)13-27-14(2)20(24)22-15-9-5-7-11-17(15)25-3/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24)/t14-/m1/s1.
What are the key properties of (2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide?
(2R)-2-[2-(2-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 (2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 1412136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).