4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide

C17H26N2O4S — CID 17464043

IUPAC4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NC2CCCCC2C)cc1
InChIInChI=1S/C17H26N2O4S/c1-13-5-3-4-6-16(13)19-17(20)14-7-9-15(10-8-14)24(21,22)18-11-12-23-2/h7-10,13,16,18H,3-6,11-12H2,1-2H3,(H,19,20)
InChIKeyNSBXXHICALXSDK-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.92
Rot. Bonds7

About 4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide

4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide (PubChem CID 17464043) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide
PubChem CID17464043
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NC2CCCCC2C)cc1
InChIInChI=1S/C17H26N2O4S/c1-13-5-3-4-6-16(13)19-17(20)14-7-9-15(10-8-14)24(21,22)18-11-12-23-2/h7-10,13,16,18H,3-6,11-12H2,1-2H3,(H,19,20)
InChIKeyNSBXXHICALXSDK-UHFFFAOYSA-N
XLogP1.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297166
4-(2-methoxyethylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574271
cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678088
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide
CID 15997384
4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide
CID 119387792
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
4-(2-methoxyethylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119426387
N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide
CID 7478902
N-[(1R,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 1428507
N-[(1S,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 1428510
N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 119620168
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 9164413

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide?
The IUPAC name of 4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide (CID 17464043) is 4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide.
What is the SMILES notation for 4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide?
The canonical SMILES for 4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide is COCCNS(=O)(=O)c1ccc(C(=O)NC2CCCCC2C)cc1.
What is the InChIKey of 4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide?
The InChIKey is NSBXXHICALXSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-13-5-3-4-6-16(13)19-17(20)14-7-9-15(10-8-14)24(21,22)18-11-12-23-2/h7-10,13,16,18H,3-6,11-12H2,1-2H3,(H,19,20).
What are the key properties of 4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide?
4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide has a molecular weight of 354.47 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide is sourced from PubChem (CID 17464043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).