4-[methoxy(methyl)sulfamoyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide

C23H31N3O4S — CID 36543274

IUPAC4-[methoxy(methyl)sulfamoyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(CN3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C23H31N3O4S/c1-18-12-14-26(15-13-18)17-20-6-4-19(5-7-20)16-24-23(27)21-8-10-22(11-9-21)31(28,29)25(2)30-3/h4-11,18H,12-17H2,1-3H3,(H,24,27)
InChIKeyPYBVFYAGGCAROW-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.03
Rot. Bonds8

About 4-[methoxy(methyl)sulfamoyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide

4-[methoxy(methyl)sulfamoyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 36543274) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 4-[methoxy(methyl)sulfamoyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[methoxy(methyl)sulfamoyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID36543274
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name4-[methoxy(methyl)sulfamoyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(CN3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C23H31N3O4S/c1-18-12-14-26(15-13-18)17-20-6-4-19(5-7-20)16-24-23(27)21-8-10-22(11-9-21)31(28,29)25(2)30-3/h4-11,18H,12-17H2,1-3H3,(H,24,27)
InChIKeyPYBVFYAGGCAROW-UHFFFAOYSA-N
XLogP3.03
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
N-[(4-ethoxyphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 53283400
2-chloro-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46579609
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
CID 39997651
4-fluoro-N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide
CID 38401061
N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92680753
4-[methoxy(methyl)sulfamoyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55534313
4-[(4-methylpiperidin-1-yl)methyl]benzenesulfonic acid
CID 94830309
methyl 4-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]benzoate
CID 46474036
4-chloro-N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]benzamide
CID 38400279
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 43917996
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968

Frequently Asked Questions

What is the IUPAC name of 4-[methoxy(methyl)sulfamoyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 4-[methoxy(methyl)sulfamoyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (CID 36543274) is 4-[methoxy(methyl)sulfamoyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-[methoxy(methyl)sulfamoyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-[methoxy(methyl)sulfamoyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is CON(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(CN3CCC(C)CC3)cc2)cc1.
What is the InChIKey of 4-[methoxy(methyl)sulfamoyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is PYBVFYAGGCAROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-18-12-14-26(15-13-18)17-20-6-4-19(5-7-20)16-24-23(27)21-8-10-22(11-9-21)31(28,29)25(2)30-3/h4-11,18H,12-17H2,1-3H3,(H,24,27).
What are the key properties of 4-[methoxy(methyl)sulfamoyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
4-[methoxy(methyl)sulfamoyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 445.59 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(methyl)sulfamoyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 36543274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).