2-[ethyl(methyl)amino]-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-phenylacetamide

C22H28N4O3S — CID 56583095

IUPAC2-[ethyl(methyl)amino]-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-phenylacetamide
SMILESCCN(C)C(C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)c1ccccc1
InChIInChI=1S/C22H28N4O3S/c1-4-25(2)21(17-9-6-5-7-10-17)22(27)23-18-12-14-19(15-13-18)30(28,29)24-20-11-8-16-26(20)3/h5-7,9-10,12-15,21H,4,8,11,16H2,1-3H3,(H,23,27)/b24-20-
InChIKeyVZKNENRSQUCWEZ-GFMRDNFCSA-N
MW428.56 g/mol
LogP3.13
Rot. Bonds7

About 2-[ethyl(methyl)amino]-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-phenylacetamide

2-[ethyl(methyl)amino]-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-phenylacetamide (PubChem CID 56583095) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-phenylacetamide
PubChem CID56583095
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC Name2-[ethyl(methyl)amino]-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-phenylacetamide
SMILESCCN(C)C(C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)c1ccccc1
InChIInChI=1S/C22H28N4O3S/c1-4-25(2)21(17-9-6-5-7-10-17)22(27)23-18-12-14-19(15-13-18)30(28,29)24-20-11-8-16-26(20)3/h5-7,9-10,12-15,21H,4,8,11,16H2,1-3H3,(H,23,27)/b24-20-
InChIKeyVZKNENRSQUCWEZ-GFMRDNFCSA-N
XLogP3.13
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[ethyl(methyl)amino]-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-phenylacetamide?
The IUPAC name of 2-[ethyl(methyl)amino]-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-phenylacetamide (CID 56583095) is 2-[ethyl(methyl)amino]-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-phenylacetamide.
What is the SMILES notation for 2-[ethyl(methyl)amino]-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-phenylacetamide?
The canonical SMILES for 2-[ethyl(methyl)amino]-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-phenylacetamide is CCN(C)C(C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)c1ccccc1.
What is the InChIKey of 2-[ethyl(methyl)amino]-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-phenylacetamide?
The InChIKey is VZKNENRSQUCWEZ-GFMRDNFCSA-N. The full InChI is InChI=1S/C22H28N4O3S/c1-4-25(2)21(17-9-6-5-7-10-17)22(27)23-18-12-14-19(15-13-18)30(28,29)24-20-11-8-16-26(20)3/h5-7,9-10,12-15,21H,4,8,11,16H2,1-3H3,(H,23,27)/b24-20-.
What are the key properties of 2-[ethyl(methyl)amino]-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-phenylacetamide?
2-[ethyl(methyl)amino]-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-phenylacetamide has a molecular weight of 428.56 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-phenylacetamide is sourced from PubChem (CID 56583095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).