2-methoxy-N-methyl-5-[(4-piperidin-1-ylphenyl)sulfamoyl]benzamide

C20H25N3O4S — CID 100513018

IUPAC2-methoxy-N-methyl-5-[(4-piperidin-1-ylphenyl)sulfamoyl]benzamide
SMILESCNC(=O)c1cc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)ccc1OC
InChIInChI=1S/C20H25N3O4S/c1-21-20(24)18-14-17(10-11-19(18)27-2)28(25,26)22-15-6-8-16(9-7-15)23-12-4-3-5-13-23/h6-11,14,22H,3-5,12-13H2,1-2H3,(H,21,24)
InChIKeyGRFJVAKDUQGWCP-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.85
Rot. Bonds6

About 2-methoxy-N-methyl-5-[(4-piperidin-1-ylphenyl)sulfamoyl]benzamide

2-methoxy-N-methyl-5-[(4-piperidin-1-ylphenyl)sulfamoyl]benzamide (PubChem CID 100513018) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-methoxy-N-methyl-5-[(4-piperidin-1-ylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-5-[(4-piperidin-1-ylphenyl)sulfamoyl]benzamide
PubChem CID100513018
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-methoxy-N-methyl-5-[(4-piperidin-1-ylphenyl)sulfamoyl]benzamide
SMILESCNC(=O)c1cc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)ccc1OC
InChIInChI=1S/C20H25N3O4S/c1-21-20(24)18-14-17(10-11-19(18)27-2)28(25,26)22-15-6-8-16(9-7-15)23-12-4-3-5-13-23/h6-11,14,22H,3-5,12-13H2,1-2H3,(H,21,24)
InChIKeyGRFJVAKDUQGWCP-UHFFFAOYSA-N
XLogP2.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide
CID 39324008
N-[4-(azepan-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 112985765
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 100508329
N-[4-(azepan-1-yl)phenyl]-5-chloro-2-methoxybenzenesulfonamide
CID 112985795
3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 100520095
4-methoxy-2,3-dimethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 100516902
3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
CID 90595972
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882655
5-[(3-ethoxyphenyl)sulfamoyl]-2-methoxy-N-methylbenzamide
CID 53282739
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882654
2-methoxy-5-[[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperazin-1-yl]methyl]benzoic acid
CID 145112941
2-methoxy-5-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 28591050

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-5-[(4-piperidin-1-ylphenyl)sulfamoyl]benzamide?
The IUPAC name of 2-methoxy-N-methyl-5-[(4-piperidin-1-ylphenyl)sulfamoyl]benzamide (CID 100513018) is 2-methoxy-N-methyl-5-[(4-piperidin-1-ylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-methoxy-N-methyl-5-[(4-piperidin-1-ylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-methoxy-N-methyl-5-[(4-piperidin-1-ylphenyl)sulfamoyl]benzamide is CNC(=O)c1cc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)ccc1OC.
What is the InChIKey of 2-methoxy-N-methyl-5-[(4-piperidin-1-ylphenyl)sulfamoyl]benzamide?
The InChIKey is GRFJVAKDUQGWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-21-20(24)18-14-17(10-11-19(18)27-2)28(25,26)22-15-6-8-16(9-7-15)23-12-4-3-5-13-23/h6-11,14,22H,3-5,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2-methoxy-N-methyl-5-[(4-piperidin-1-ylphenyl)sulfamoyl]benzamide?
2-methoxy-N-methyl-5-[(4-piperidin-1-ylphenyl)sulfamoyl]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-5-[(4-piperidin-1-ylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 100513018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).