N-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]piperidine-1-carboxamide

C20H25N3O4S — CID 6459052

IUPACN-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-27-18-9-5-16(6-10-18)15-21-28(25,26)19-11-7-17(8-12-19)22-20(24)23-13-3-2-4-14-23/h5-12,21H,2-4,13-15H2,1H3,(H,22,24)
InChIKeySKHMILKPBCDARY-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.19
Rot. Bonds6

About N-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]piperidine-1-carboxamide

N-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]piperidine-1-carboxamide (PubChem CID 6459052) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]piperidine-1-carboxamide
PubChem CID6459052
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-27-18-9-5-16(6-10-18)15-21-28(25,26)19-11-7-17(8-12-19)22-20(24)23-13-3-2-4-14-23/h5-12,21H,2-4,13-15H2,1H3,(H,22,24)
InChIKeySKHMILKPBCDARY-UHFFFAOYSA-N
XLogP3.19
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of N-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]piperidine-1-carboxamide (CID 6459052) is N-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]piperidine-1-carboxamide is COc1ccc(CNS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]piperidine-1-carboxamide?
The InChIKey is SKHMILKPBCDARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-27-18-9-5-16(6-10-18)15-21-28(25,26)19-11-7-17(8-12-19)22-20(24)23-13-3-2-4-14-23/h5-12,21H,2-4,13-15H2,1H3,(H,22,24).
What are the key properties of N-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]piperidine-1-carboxamide?
N-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]piperidine-1-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 6459052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).