N-[4-(methanesulfonamido)phenyl]-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide

C21H25N3O5S — CID 76852356

IUPACN-[4-(methanesulfonamido)phenyl]-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide
SMILESCc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc(NS(C)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C21H25N3O5S/c1-15-3-9-18(10-4-15)29-19-11-13-24(14-12-19)21(26)20(25)22-16-5-7-17(8-6-16)23-30(2,27)28/h3-10,19,23H,11-14H2,1-2H3,(H,22,25)
InChIKeyRICKJOWSKNXIEY-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.38
Rot. Bonds5

About N-[4-(methanesulfonamido)phenyl]-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide

N-[4-(methanesulfonamido)phenyl]-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide (PubChem CID 76852356) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)phenyl]-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)phenyl]-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide
PubChem CID76852356
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC NameN-[4-(methanesulfonamido)phenyl]-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide
SMILESCc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc(NS(C)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C21H25N3O5S/c1-15-3-9-18(10-4-15)29-19-11-13-24(14-12-19)21(26)20(25)22-16-5-7-17(8-6-16)23-30(2,27)28/h3-10,19,23H,11-14H2,1-2H3,(H,22,25)
InChIKeyRICKJOWSKNXIEY-UHFFFAOYSA-N
XLogP2.38
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(methanesulfonamido)phenyl]-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-oxo-2-(4-phenoxypiperidin-1-yl)acetamide
CID 47695218
N-(4-piperidin-4-yloxyphenyl)methanesulfonamide
CID 19420800
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide
CID 146733338
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 10201898
2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110397098
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
4-[4-(methanesulfonamido)anilino]piperidine-1-carboxamide
CID 43787048
N-[3-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]phenyl]methanesulfonamide
CID 67168414
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504516
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 71825357
phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate
CID 110397090

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)phenyl]-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[4-(methanesulfonamido)phenyl]-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide (CID 76852356) is N-[4-(methanesulfonamido)phenyl]-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[4-(methanesulfonamido)phenyl]-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[4-(methanesulfonamido)phenyl]-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide is Cc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc(NS(C)(=O)=O)cc3)CC2)cc1.
What is the InChIKey of N-[4-(methanesulfonamido)phenyl]-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is RICKJOWSKNXIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-15-3-9-18(10-4-15)29-19-11-13-24(14-12-19)21(26)20(25)22-16-5-7-17(8-6-16)23-30(2,27)28/h3-10,19,23H,11-14H2,1-2H3,(H,22,25).
What are the key properties of N-[4-(methanesulfonamido)phenyl]-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide?
N-[4-(methanesulfonamido)phenyl]-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 431.51 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)phenyl]-2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 76852356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).