1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide

C23H35N3O5S — CID 43066542

IUPAC1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)CC1
InChIInChI=1S/C23H35N3O5S/c1-25(20-6-4-3-5-7-20)32(29,30)21-10-8-19(9-11-21)23(28)26-15-12-18(13-16-26)22(27)24-14-17-31-2/h8-11,18,20H,3-7,12-17H2,1-2H3,(H,24,27)
InChIKeyYJJRJKDXFPWEJK-UHFFFAOYSA-N
MW465.62 g/mol
LogP2.25
Rot. Bonds8

About 1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide

1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 43066542) has the molecular formula C23H35N3O5S and a molecular weight of 465.62 g/mol. Its IUPAC name is 1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID43066542
Molecular FormulaC23H35N3O5S
Molecular Weight465.62 g/mol
Exact Mass465.23
IUPAC Name1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)CC1
InChIInChI=1S/C23H35N3O5S/c1-25(20-6-4-3-5-7-20)32(29,30)21-10-8-19(9-11-21)23(28)26-15-12-18(13-16-26)22(27)24-14-17-31-2/h8-11,18,20H,3-7,12-17H2,1-2H3,(H,24,27)
InChIKeyYJJRJKDXFPWEJK-UHFFFAOYSA-N
XLogP2.25
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 55805978
N-cyclohexyl-N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55468843
1-[4-(azepan-1-ylsulfonyl)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55954196
4-(4-aminopiperidine-1-carbonyl)-N-cyclohexyl-N-methylbenzenesulfonamide
CID 119375160
N-cyclohexyl-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide
CID 119402234
N-cyclohexyl-4-(4-cyclopentylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide
CID 55584050
1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 20973095
1-[4-(butanoylamino)benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 20972958
4-[cyclohexyl(methyl)sulfamoyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 46485483
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871
methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 51153899
N-(3-methoxypropyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide
CID 125145382

Frequently Asked Questions

What is the IUPAC name of 1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide (CID 43066542) is 1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide is COCCNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)CC1.
What is the InChIKey of 1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is YJJRJKDXFPWEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O5S/c1-25(20-6-4-3-5-7-20)32(29,30)21-10-8-19(9-11-21)23(28)26-15-12-18(13-16-26)22(27)24-14-17-31-2/h8-11,18,20H,3-7,12-17H2,1-2H3,(H,24,27).
What are the key properties of 1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 465.62 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 43066542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).