4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide

C21H27N3O4S — CID 31098428

IUPAC4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCN(C)CC2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H27N3O4S/c1-15-4-7-18(8-5-15)23-29(26,27)20-14-16(6-9-19(20)28-3)21(25)22-17-10-12-24(2)13-11-17/h4-9,14,17,23H,10-13H2,1-3H3,(H,22,25)
InChIKeySLHLNALZQJGBMA-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.63
Rot. Bonds6

About 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide

4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 31098428) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID31098428
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCN(C)CC2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H27N3O4S/c1-15-4-7-18(8-5-15)23-29(26,27)20-14-16(6-9-19(20)28-3)21(25)22-17-10-12-24(2)13-11-17/h4-9,14,17,23H,10-13H2,1-3H3,(H,22,25)
InChIKeySLHLNALZQJGBMA-UHFFFAOYSA-N
XLogP2.63
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164185
N-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46556722
3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 99968240
3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide
CID 55346445
4-chloro-N-(1-methylpiperidin-4-yl)-3-(phenylsulfamoyl)benzamide
CID 50875246
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480
4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55408011
N-(2,5-dimethylpyrazol-3-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 37045799
4-hydroxy-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 110463703
2-methoxy-N-(4-methylphenyl)-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 24660961
2-methoxy-5-(4-methylidenepiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 56570710
4-tert-butyl-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 155022118

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide (CID 31098428) is 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide is COc1ccc(C(=O)NC2CCN(C)CC2)cc1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is SLHLNALZQJGBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-15-4-7-18(8-5-15)23-29(26,27)20-14-16(6-9-19(20)28-3)21(25)22-17-10-12-24(2)13-11-17/h4-9,14,17,23H,10-13H2,1-3H3,(H,22,25).
What are the key properties of 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide?
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 417.53 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 31098428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).