2-(4-ethyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide

C19H23N3O5S — CID 132662550

IUPAC2-(4-ethyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide
SMILESCCc1ccc(N(C(C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23N3O5S/c1-5-15-9-11-16(12-10-15)21(28(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)
InChIKeyNWZWQTQBNOBPRV-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.26
Rot. Bonds7

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

2-(4-ethyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide (PubChem CID 132662550) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-(4-ethyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(4-ethyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide
PubChem CID132662550
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name2-(4-ethyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide
SMILESCCc1ccc(N(C(C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23N3O5S/c1-5-15-9-11-16(12-10-15)21(28(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)
InChIKeyNWZWQTQBNOBPRV-UHFFFAOYSA-N
XLogP3.26
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide
CID 7330182
N-(3-chloro-2-methylphenyl)-2-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 132660099
2-(3-chloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide
CID 132663994
N-(2-methyl-3-nitrophenyl)-2-(N-methylsulfonyl-3-nitroanilino)butanamide
CID 132670706
N-(3-chloro-2-methylphenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 4311330
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-methyl-3-nitrophenyl)butanamide
CID 100612839
methyl 3-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]-2-methylbenzoate
CID 126266508
2-(4-ethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 51178521
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 132658835
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 1265335
2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 2968377
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)-2-phenylacetamide
CID 133251735

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide?
The IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide (CID 132662550) is 2-(4-ethyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide.
What is the SMILES notation for 2-(4-ethyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide?
The canonical SMILES for 2-(4-ethyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide is CCc1ccc(N(C(C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide?
The InChIKey is NWZWQTQBNOBPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-5-15-9-11-16(12-10-15)21(28(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).
What are the key properties of 2-(4-ethyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide?
2-(4-ethyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide has a molecular weight of 405.48 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide is sourced from PubChem (CID 132662550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).