N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide;oxalic acid

C22H27N3O7S — CID 11834457

IUPACN-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide;oxalic acid
SMILESCc1ccc(S(=O)(=O)Nc2cccc(NC(=O)CN3CCCCC3)c2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C20H25N3O3S.C2H2O4/c1-16-8-10-19(11-9-16)27(25,26)22-18-7-5-6-17(14-18)21-20(24)15-23-12-3-2-4-13-23;3-1(4)2(5)6/h5-11,14,22H,2-4,12-13,15H2,1H3,(H,21,24);(H,3,4)(H,5,6)
InChIKeyFNGVMBGKKYKGJN-UHFFFAOYSA-N
MW477.54 g/mol
LogP2.38
Rot. Bonds6

About N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide;oxalic acid

N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide;oxalic acid (PubChem CID 11834457) has the molecular formula C22H27N3O7S and a molecular weight of 477.54 g/mol. Its IUPAC name is N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide;oxalic acid.

Molecular Properties

Compound NameN-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide;oxalic acid
PubChem CID11834457
Molecular FormulaC22H27N3O7S
Molecular Weight477.54 g/mol
Exact Mass477.16
IUPAC NameN-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide;oxalic acid
SMILESCc1ccc(S(=O)(=O)Nc2cccc(NC(=O)CN3CCCCC3)c2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C20H25N3O3S.C2H2O4/c1-16-8-10-19(11-9-16)27(25,26)22-18-7-5-6-17(14-18)21-20(24)15-23-12-3-2-4-13-23;3-1(4)2(5)6/h5-11,14,22H,2-4,12-13,15H2,1H3,(H,21,24);(H,3,4)(H,5,6)
InChIKeyFNGVMBGKKYKGJN-UHFFFAOYSA-N
XLogP2.38
TPSA153.11 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide;oxalic acid 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 N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide;oxalic acid?
The IUPAC name of N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide;oxalic acid (CID 11834457) is N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide;oxalic acid.
What is the SMILES notation for N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide;oxalic acid?
The canonical SMILES for N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide;oxalic acid is Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)CN3CCCCC3)c2)cc1.O=C(O)C(=O)O.
What is the InChIKey of N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide;oxalic acid?
The InChIKey is FNGVMBGKKYKGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.C2H2O4/c1-16-8-10-19(11-9-16)27(25,26)22-18-7-5-6-17(14-18)21-20(24)15-23-12-3-2-4-13-23;3-1(4)2(5)6/h5-11,14,22H,2-4,12-13,15H2,1H3,(H,21,24);(H,3,4)(H,5,6).
What are the key properties of N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide;oxalic acid?
N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide;oxalic acid has a molecular weight of 477.54 g/mol, XLogP of 2.38, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide;oxalic acid is sourced from PubChem (CID 11834457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).