2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide

C20H31N3O4S — CID 2561314

IUPAC2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C20H31N3O4S/c1-27-18-9-8-16(28(21,25)26)14-17(18)19(24)22-15-20(10-4-2-5-11-20)23-12-6-3-7-13-23/h8-9,14H,2-7,10-13,15H2,1H3,(H,22,24)(H2,21,25,26)
InChIKeyPAUQPGVURJJZTP-UHFFFAOYSA-N
MW409.55 g/mol
LogP2.26
Rot. Bonds6

About 2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide

2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide (PubChem CID 2561314) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is 2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide
PubChem CID2561314
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC Name2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C20H31N3O4S/c1-27-18-9-8-16(28(21,25)26)14-17(18)19(24)22-15-20(10-4-2-5-11-20)23-12-6-3-7-13-23/h8-9,14H,2-7,10-13,15H2,1H3,(H,22,24)(H2,21,25,26)
InChIKeyPAUQPGVURJJZTP-UHFFFAOYSA-N
XLogP2.26
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4-trimethoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 2449625
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 17446987
2-methoxy-5-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methylsulfamoyl]benzamide
CID 146024591
2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91770086
1-[[(2-methoxy-5-methylsulfonylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120690142
N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methoxy-5-sulfamoylbenzamide;hydrate
CID 23621400
2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide
CID 3075862
N-(2-cyclobutylethyl)-2-methoxy-5-sulfamoylbenzamide
CID 115687261
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
2-methoxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide
CID 56672420
N-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide (CID 2561314) is 2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of 2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide?
The InChIKey is PAUQPGVURJJZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-27-18-9-8-16(28(21,25)26)14-17(18)19(24)22-15-20(10-4-2-5-11-20)23-12-6-3-7-13-23/h8-9,14H,2-7,10-13,15H2,1H3,(H,22,24)(H2,21,25,26).
What are the key properties of 2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide?
2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide has a molecular weight of 409.55 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 2561314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).