[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] (R)-4-methylbenzenesulfinate

C19H21ClN2O4S — CID 11875082

IUPAC[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] (R)-4-methylbenzenesulfinate
SMILESCc1ccc([S@](=O)OCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1
InChIInChI=1S/C19H21ClN2O4S/c1-14-2-5-16(6-3-14)27(24)26-13-19(23)21-17-12-15(20)4-7-18(17)22-8-10-25-11-9-22/h2-7,12H,8-11,13H2,1H3,(H,21,23)/t27-/m1/s1
InChIKeyNHWFAQWYZKABND-HHHXNRCGSA-N
MW408.91 g/mol
LogP3.16
Rot. Bonds6

About [2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] (R)-4-methylbenzenesulfinate

[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] (R)-4-methylbenzenesulfinate (PubChem CID 11875082) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is [2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] (R)-4-methylbenzenesulfinate.

Molecular Properties

Compound Name[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] (R)-4-methylbenzenesulfinate
PubChem CID11875082
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] (R)-4-methylbenzenesulfinate
SMILESCc1ccc([S@](=O)OCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1
InChIInChI=1S/C19H21ClN2O4S/c1-14-2-5-16(6-3-14)27(24)26-13-19(23)21-17-12-15(20)4-7-18(17)22-8-10-25-11-9-22/h2-7,12H,8-11,13H2,1H3,(H,21,23)/t27-/m1/s1
InChIKeyNHWFAQWYZKABND-HHHXNRCGSA-N
XLogP3.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 24981722
2-(4-chloro-2-methylphenoxy)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide
CID 3467178
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-chlorophenoxy)acetamide
CID 4665478
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 1094305
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 134030385
2-(4-benzoylphenoxy)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide
CID 2532185
(3Z)-3-amino-N-(5-chloro-2-morpholin-4-ylphenyl)-3-hydroxyiminopropanamide
CID 16777669
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide
CID 47108337
2-(4-methylphenoxy)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide
CID 110400419
2-(2,5-dichlorophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 51139074
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 134064794
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29457013

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] (R)-4-methylbenzenesulfinate?
The IUPAC name of [2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] (R)-4-methylbenzenesulfinate (CID 11875082) is [2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] (R)-4-methylbenzenesulfinate.
What is the SMILES notation for [2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] (R)-4-methylbenzenesulfinate?
The canonical SMILES for [2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] (R)-4-methylbenzenesulfinate is Cc1ccc([S@](=O)OCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1.
What is the InChIKey of [2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] (R)-4-methylbenzenesulfinate?
The InChIKey is NHWFAQWYZKABND-HHHXNRCGSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-14-2-5-16(6-3-14)27(24)26-13-19(23)21-17-12-15(20)4-7-18(17)22-8-10-25-11-9-22/h2-7,12H,8-11,13H2,1H3,(H,21,23)/t27-/m1/s1.
What are the key properties of [2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] (R)-4-methylbenzenesulfinate?
[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] (R)-4-methylbenzenesulfinate has a molecular weight of 408.91 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] (R)-4-methylbenzenesulfinate is sourced from PubChem (CID 11875082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).