N-cyclohexyl-2-methoxy-5-(propan-2-ylsulfamoyl)benzamide

C17H26N2O4S — CID 992249

IUPACN-cyclohexyl-2-methoxy-5-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C17H26N2O4S/c1-12(2)19-24(21,22)14-9-10-16(23-3)15(11-14)17(20)18-13-7-5-4-6-8-13/h9-13,19H,4-8H2,1-3H3,(H,18,20)
InChIKeyQVJMWDIVOSEZRW-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.44
Rot. Bonds6

About N-cyclohexyl-2-methoxy-5-(propan-2-ylsulfamoyl)benzamide

N-cyclohexyl-2-methoxy-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 992249) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-cyclohexyl-2-methoxy-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methoxy-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID992249
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-cyclohexyl-2-methoxy-5-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C17H26N2O4S/c1-12(2)19-24(21,22)14-9-10-16(23-3)15(11-14)17(20)18-13-7-5-4-6-8-13/h9-13,19H,4-8H2,1-3H3,(H,18,20)
InChIKeyQVJMWDIVOSEZRW-UHFFFAOYSA-N
XLogP2.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methoxy-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-cyclohexyl-2-methoxy-5-(propan-2-ylsulfamoyl)benzamide (CID 992249) is N-cyclohexyl-2-methoxy-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-cyclohexyl-2-methoxy-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-cyclohexyl-2-methoxy-5-(propan-2-ylsulfamoyl)benzamide is COc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-methoxy-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is QVJMWDIVOSEZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-12(2)19-24(21,22)14-9-10-16(23-3)15(11-14)17(20)18-13-7-5-4-6-8-13/h9-13,19H,4-8H2,1-3H3,(H,18,20).
What are the key properties of N-cyclohexyl-2-methoxy-5-(propan-2-ylsulfamoyl)benzamide?
N-cyclohexyl-2-methoxy-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 354.47 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methoxy-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 992249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).