3-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-4-yl)benzamide

C20H31N3O3S — CID 120598273

IUPAC3-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-4-yl)benzamide
SMILESCC1CC(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)CCN1
InChIInChI=1S/C20H31N3O3S/c1-15-13-17(11-12-21-15)22-20(24)16-7-6-10-19(14-16)27(25,26)23(2)18-8-4-3-5-9-18/h6-7,10,14-15,17-18,21H,3-5,8-9,11-13H2,1-2H3,(H,22,24)
InChIKeyXXNFXUAIHBQGIA-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.51
Rot. Bonds5

About 3-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-4-yl)benzamide

3-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-4-yl)benzamide (PubChem CID 120598273) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-4-yl)benzamide
PubChem CID120598273
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name3-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-4-yl)benzamide
SMILESCC1CC(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)CCN1
InChIInChI=1S/C20H31N3O3S/c1-15-13-17(11-12-21-15)22-20(24)16-7-6-10-19(14-16)27(25,26)23(2)18-8-4-3-5-9-18/h6-7,10,14-15,17-18,21H,3-5,8-9,11-13H2,1-2H3,(H,22,24)
InChIKeyXXNFXUAIHBQGIA-UHFFFAOYSA-N
XLogP2.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetylazetidin-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 127392421
N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120601336
3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120599313
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213252
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
N-cyclopentyl-3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]sulfamoyl]benzamide
CID 97194696
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
3-[cyclohexyl(methyl)sulfamoyl]-N-ethoxybenzamide
CID 43048017
(2S)-2-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-3-methylbutanoic acid
CID 9291692
N-(4-chlorophenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 2666126
3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide
CID 119388175

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-4-yl)benzamide?
The IUPAC name of 3-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-4-yl)benzamide (CID 120598273) is 3-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-4-yl)benzamide is CC1CC(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)CCN1.
What is the InChIKey of 3-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-4-yl)benzamide?
The InChIKey is XXNFXUAIHBQGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-15-13-17(11-12-21-15)22-20(24)16-7-6-10-19(14-16)27(25,26)23(2)18-8-4-3-5-9-18/h6-7,10,14-15,17-18,21H,3-5,8-9,11-13H2,1-2H3,(H,22,24).
What are the key properties of 3-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-4-yl)benzamide?
3-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-4-yl)benzamide has a molecular weight of 393.55 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 120598273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).