3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide

C16H25N3O4S — CID 99968240

IUPAC3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide
SMILESCCNS(=O)(=O)c1cc(C(=O)NC2CCN(C)CC2)ccc1OC
InChIInChI=1S/C16H25N3O4S/c1-4-17-24(21,22)15-11-12(5-6-14(15)23-3)16(20)18-13-7-9-19(2)10-8-13/h5-6,11,13,17H,4,7-10H2,1-3H3,(H,18,20)
InChIKeyRMQNLIRRKXRXAW-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.82
Rot. Bonds6

About 3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide

3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 99968240) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID99968240
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide
SMILESCCNS(=O)(=O)c1cc(C(=O)NC2CCN(C)CC2)ccc1OC
InChIInChI=1S/C16H25N3O4S/c1-4-17-24(21,22)15-11-12(5-6-14(15)23-3)16(20)18-13-7-9-19(2)10-8-13/h5-6,11,13,17H,4,7-10H2,1-3H3,(H,18,20)
InChIKeyRMQNLIRRKXRXAW-UHFFFAOYSA-N
XLogP0.82
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 31098428
4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 30855583
4-hydroxy-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 110463703
ethyl 4-[(4-methoxy-3-methylsulfonylbenzoyl)amino]piperidine-1-carboxylate
CID 110413308
3-(tert-butylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-methoxybenzamide
CID 55949490
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 55387001
N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 17027131
4-tert-butyl-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 155022118
3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 45373616
N-(3-ethoxypropyl)-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373708
5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65366957
3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide
CID 26516485

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide (CID 99968240) is 3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide is CCNS(=O)(=O)c1cc(C(=O)NC2CCN(C)CC2)ccc1OC.
What is the InChIKey of 3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is RMQNLIRRKXRXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-4-17-24(21,22)15-11-12(5-6-14(15)23-3)16(20)18-13-7-9-19(2)10-8-13/h5-6,11,13,17H,4,7-10H2,1-3H3,(H,18,20).
What are the key properties of 3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide?
3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 355.46 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 99968240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).