N-[2-methoxy-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide

C21H27N3O4S — CID 56921177

IUPACN-[2-methoxy-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1NC(C)=O
InChIInChI=1S/C21H27N3O4S/c1-16(25)23-20-14-19(10-11-21(20)28-2)29(26,27)22-15-17-6-8-18(9-7-17)24-12-4-3-5-13-24/h6-11,14,22H,3-5,12-13,15H2,1-2H3,(H,23,25)
InChIKeyOPTDSFHQCDRMLN-UHFFFAOYSA-N
MW417.53 g/mol
LogP3.12
Rot. Bonds7

About N-[2-methoxy-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide

N-[2-methoxy-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide (PubChem CID 56921177) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[2-methoxy-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide
PubChem CID56921177
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-[2-methoxy-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1NC(C)=O
InChIInChI=1S/C21H27N3O4S/c1-16(25)23-20-14-19(10-11-21(20)28-2)29(26,27)22-15-17-6-8-18(9-7-17)24-12-4-3-5-13-24/h6-11,14,22H,3-5,12-13,15H2,1-2H3,(H,23,25)
InChIKeyOPTDSFHQCDRMLN-UHFFFAOYSA-N
XLogP3.12
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[2-methoxy-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide 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-methoxy-5-[(6-methoxynaphthalen-2-yl)methylsulfamoyl]phenyl]acetamide
CID 46696333
2-methyl-N-[2-methylsulfanyl-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]propanamide
CID 100602128
4-methoxy-2,3-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide
CID 100737435
3-chloro-4-methoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide
CID 53278352
N-[2-methoxy-5-(2-morpholin-4-ylethylsulfamoyl)phenyl]acetamide
CID 8777848
N-[3-[4-(azepan-1-yl)phenyl]propyl]-4-methoxy-3-methylbenzenesulfonamide
CID 16890780
[4-[[(4-acetamido-3-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191389
3,4-dimethoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 17248759
N-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 53280909
N-[2-methoxy-5-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]phenyl]acetamide
CID 8797558
3-fluoro-4-methoxy-N-[3-(4-piperidin-1-ylphenyl)propyl]benzenesulfonamide
CID 16891167
N-benzyl-4-piperidin-1-ylbenzenesulfonamide
CID 735438

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide (CID 56921177) is N-[2-methoxy-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide is COc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide?
The InChIKey is OPTDSFHQCDRMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-16(25)23-20-14-19(10-11-21(20)28-2)29(26,27)22-15-17-6-8-18(9-7-17)24-12-4-3-5-13-24/h6-11,14,22H,3-5,12-13,15H2,1-2H3,(H,23,25).
What are the key properties of N-[2-methoxy-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide?
N-[2-methoxy-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide has a molecular weight of 417.53 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 56921177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).