2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide

C19H23N3O5S — CID 5335586

IUPAC2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1ccc(/C=N/NC(=O)C(C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23N3O5S/c1-14(19(23)21-20-13-15-5-9-17(26-2)10-6-15)22(28(4,24)25)16-7-11-18(27-3)12-8-16/h5-14H,1-4H3,(H,21,23)/b20-13+
InChIKeyYVTVTYZNFPQPOH-DEDYPNTBSA-N
MW405.48 g/mol
LogP2.01
Rot. Bonds8

About 2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide

2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide (PubChem CID 5335586) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide
PubChem CID5335586
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1ccc(/C=N/NC(=O)C(C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23N3O5S/c1-14(19(23)21-20-13-15-5-9-17(26-2)10-6-15)22(28(4,24)25)16-7-11-18(27-3)12-8-16/h5-14H,1-4H3,(H,21,23)/b20-13+
InChIKeyYVTVTYZNFPQPOH-DEDYPNTBSA-N
XLogP2.01
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide (CID 5335586) is 2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide is COc1ccc(/C=N/NC(=O)C(C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide?
The InChIKey is YVTVTYZNFPQPOH-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-14(19(23)21-20-13-15-5-9-17(26-2)10-6-15)22(28(4,24)25)16-7-11-18(27-3)12-8-16/h5-14H,1-4H3,(H,21,23)/b20-13+.
What are the key properties of 2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide?
2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide has a molecular weight of 405.48 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 5335586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).