2-amino-N-[4-(4-aminophenyl)sulfonylphenyl]-3-phenylpropanamide

C21H21N3O3S — CID 24838837

IUPAC2-amino-N-[4-(4-aminophenyl)sulfonylphenyl]-3-phenylpropanamide
SMILESNc1ccc(S(=O)(=O)c2ccc(NC(=O)C(N)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C21H21N3O3S/c22-16-6-10-18(11-7-16)28(26,27)19-12-8-17(9-13-19)24-21(25)20(23)14-15-4-2-1-3-5-15/h1-13,20H,14,22-23H2,(H,24,25)
InChIKeyWPRBPMLVJRMZFQ-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.61
Rot. Bonds6

About 2-amino-N-[4-(4-aminophenyl)sulfonylphenyl]-3-phenylpropanamide

2-amino-N-[4-(4-aminophenyl)sulfonylphenyl]-3-phenylpropanamide (PubChem CID 24838837) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-amino-N-[4-(4-aminophenyl)sulfonylphenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[4-(4-aminophenyl)sulfonylphenyl]-3-phenylpropanamide
PubChem CID24838837
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name2-amino-N-[4-(4-aminophenyl)sulfonylphenyl]-3-phenylpropanamide
SMILESNc1ccc(S(=O)(=O)c2ccc(NC(=O)C(N)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C21H21N3O3S/c22-16-6-10-18(11-7-16)28(26,27)19-12-8-17(9-13-19)24-21(25)20(23)14-15-4-2-1-3-5-15/h1-13,20H,14,22-23H2,(H,24,25)
InChIKeyWPRBPMLVJRMZFQ-UHFFFAOYSA-N
XLogP2.61
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(4-aminophenyl)sulfonylphenyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[4-(4-aminophenyl)sulfonylphenyl]-3-phenylpropanamide (CID 24838837) is 2-amino-N-[4-(4-aminophenyl)sulfonylphenyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[4-(4-aminophenyl)sulfonylphenyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[4-(4-aminophenyl)sulfonylphenyl]-3-phenylpropanamide is Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C(N)Cc3ccccc3)cc2)cc1.
What is the InChIKey of 2-amino-N-[4-(4-aminophenyl)sulfonylphenyl]-3-phenylpropanamide?
The InChIKey is WPRBPMLVJRMZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c22-16-6-10-18(11-7-16)28(26,27)19-12-8-17(9-13-19)24-21(25)20(23)14-15-4-2-1-3-5-15/h1-13,20H,14,22-23H2,(H,24,25).
What are the key properties of 2-amino-N-[4-(4-aminophenyl)sulfonylphenyl]-3-phenylpropanamide?
2-amino-N-[4-(4-aminophenyl)sulfonylphenyl]-3-phenylpropanamide has a molecular weight of 395.48 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(4-aminophenyl)sulfonylphenyl]-3-phenylpropanamide is sourced from PubChem (CID 24838837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).