(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide

C19H23N3O6S — CID 7330182

IUPAC(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide
SMILESCCOc1ccc(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23N3O6S/c1-5-28-16-11-9-15(10-12-16)21(29(4,26)27)14(3)19(23)20-17-7-6-8-18(13(17)2)22(24)25/h6-12,14H,5H2,1-4H3,(H,20,23)/t14-/m1/s1
InChIKeyFXYGRWNJAXDZQM-CQSZACIVSA-N
MW421.48 g/mol
LogP3.10
Rot. Bonds8

About (2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide

(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide (PubChem CID 7330182) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is (2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide
PubChem CID7330182
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC Name(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide
SMILESCCOc1ccc(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23N3O6S/c1-5-28-16-11-9-15(10-12-16)21(29(4,26)27)14(3)19(23)20-17-7-6-8-18(13(17)2)22(24)25/h6-12,14H,5H2,1-4H3,(H,20,23)/t14-/m1/s1
InChIKeyFXYGRWNJAXDZQM-CQSZACIVSA-N
XLogP3.10
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide
CID 132662550
methyl 3-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]-2-methylbenzoate
CID 126266508
2-(3-chloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide
CID 132663994
(2S)-N-(2,3-dichlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 126269148
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 7342420
(2S)-N-(2-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1322346
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide
CID 3954255
2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide
CID 126029750
(2S)-N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1333488
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide
CID 21372170
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-methyl-3-nitrophenyl)butanamide
CID 100612839
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 1320042

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide?
The IUPAC name of (2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide (CID 7330182) is (2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide?
The canonical SMILES for (2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide is CCOc1ccc(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide?
The InChIKey is FXYGRWNJAXDZQM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-5-28-16-11-9-15(10-12-16)21(29(4,26)27)14(3)19(23)20-17-7-6-8-18(13(17)2)22(24)25/h6-12,14H,5H2,1-4H3,(H,20,23)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide?
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide has a molecular weight of 421.48 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide is sourced from PubChem (CID 7330182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).