N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide

C20H32N2O4S — CID 31719960

IUPACN-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCCCOC2CCCCC2)c1
InChIInChI=1S/C20H32N2O4S/c1-16(2)22(3)27(24,25)19-12-7-9-17(15-19)20(23)21-13-8-14-26-18-10-5-4-6-11-18/h7,9,12,15-16,18H,4-6,8,10-11,13-14H2,1-3H3,(H,21,23)
InChIKeyUODGSMRAGQHIEK-UHFFFAOYSA-N
MW396.55 g/mol
LogP3.18
Rot. Bonds9

About N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide

N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 31719960) has the molecular formula C20H32N2O4S and a molecular weight of 396.55 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID31719960
Molecular FormulaC20H32N2O4S
Molecular Weight396.55 g/mol
Exact Mass396.21
IUPAC NameN-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCCCOC2CCCCC2)c1
InChIInChI=1S/C20H32N2O4S/c1-16(2)22(3)27(24,25)19-12-7-9-17(15-19)20(23)21-13-8-14-26-18-10-5-4-6-11-18/h7,9,12,15-16,18H,4-6,8,10-11,13-14H2,1-3H3,(H,21,23)
InChIKeyUODGSMRAGQHIEK-UHFFFAOYSA-N
XLogP3.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 30878906
N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35415769
3-[(2-chlorophenyl)sulfamoyl]-N-(3-cyclohexyloxypropyl)benzamide
CID 55408428
4-bromo-N-(3-cyclohexyloxypropyl)-3-(dimethylsulfamoyl)benzamide
CID 31719944
N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119383832
3-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 26913083
N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide
CID 134029978
1-(3-cyclohexyloxypropyl)-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]guanidine;hydroiodide
CID 111398180
N-(2-amino-1-cyclohexylethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119590640
N-(3-cyclohexyloxypropyl)-3-(1H-pyrazol-4-yl)benzamide
CID 74240489
N-(3-cyclohexyloxypropyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 46613191
3-[methyl(propan-2-yl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462288

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 31719960) is N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCCCOC2CCCCC2)c1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is UODGSMRAGQHIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4S/c1-16(2)22(3)27(24,25)19-12-7-9-17(15-19)20(23)21-13-8-14-26-18-10-5-4-6-11-18/h7,9,12,15-16,18H,4-6,8,10-11,13-14H2,1-3H3,(H,21,23).
What are the key properties of N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 396.55 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 31719960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).