(2R)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide

C19H23N3O5S — CID 136715537

IUPAC(2R)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N([C@H](C)C(=O)N/N=C(/C)c2ccccc2O)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23N3O5S/c1-13(17-7-5-6-8-18(17)23)20-21-19(24)14(2)22(28(4,25)26)15-9-11-16(27-3)12-10-15/h5-12,14,23H,1-4H3,(H,21,24)/b20-13-/t14-/m1/s1
InChIKeyGOXKPYYBSGFZEO-KELUXRKGSA-N
MW405.48 g/mol
LogP2.10
Rot. Bonds7

About (2R)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide

(2R)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 136715537) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is (2R)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID136715537
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name(2R)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N([C@H](C)C(=O)N/N=C(/C)c2ccccc2O)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23N3O5S/c1-13(17-7-5-6-8-18(17)23)20-21-19(24)14(2)22(28(4,25)26)15-9-11-16(27-3)12-10-15/h5-12,14,23H,1-4H3,(H,21,24)/b20-13-/t14-/m1/s1
InChIKeyGOXKPYYBSGFZEO-KELUXRKGSA-N
XLogP2.10
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 136900641
N-(1-hydrazinyl-1-oxopropan-2-yl)-N-(4-methoxyphenyl)methanesulfonamide
CID 91671599
(2R)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126030024
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 42563634
(2S)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 94012081
ethyl 2-[[(2S)-2-(4-methoxy-N-methylsulfonylanilino)propanoyl]amino]benzoate
CID 1004380
(2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1326575
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide
CID 125057687
2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]propanamide
CID 5341555
(2S)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 40566273
(2S)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]propanamide
CID 92661298
2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 2888930

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide (CID 136715537) is (2R)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide is COc1ccc(N([C@H](C)C(=O)N/N=C(/C)c2ccccc2O)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is GOXKPYYBSGFZEO-KELUXRKGSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-13(17-7-5-6-8-18(17)23)20-21-19(24)14(2)22(28(4,25)26)15-9-11-16(27-3)12-10-15/h5-12,14,23H,1-4H3,(H,21,24)/b20-13-/t14-/m1/s1.
What are the key properties of (2R)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
(2R)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 405.48 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 136715537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).