N-cyclohexyl-3-(diethylsulfamoyl)-4-methylbenzamide

C18H28N2O3S — CID 1379044

IUPACN-cyclohexyl-3-(diethylsulfamoyl)-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC2CCCCC2)ccc1C
InChIInChI=1S/C18H28N2O3S/c1-4-20(5-2)24(22,23)17-13-15(12-11-14(17)3)18(21)19-16-9-7-6-8-10-16/h11-13,16H,4-10H2,1-3H3,(H,19,21)
InChIKeyJUDUWSWWLDBLKQ-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.09
Rot. Bonds6

About N-cyclohexyl-3-(diethylsulfamoyl)-4-methylbenzamide

N-cyclohexyl-3-(diethylsulfamoyl)-4-methylbenzamide (PubChem CID 1379044) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-cyclohexyl-3-(diethylsulfamoyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(diethylsulfamoyl)-4-methylbenzamide
PubChem CID1379044
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-cyclohexyl-3-(diethylsulfamoyl)-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC2CCCCC2)ccc1C
InChIInChI=1S/C18H28N2O3S/c1-4-20(5-2)24(22,23)17-13-15(12-11-14(17)3)18(21)19-16-9-7-6-8-10-16/h11-13,16H,4-10H2,1-3H3,(H,19,21)
InChIKeyJUDUWSWWLDBLKQ-UHFFFAOYSA-N
XLogP3.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(diethylsulfamoyl)-4-methylbenzamide?
The IUPAC name of N-cyclohexyl-3-(diethylsulfamoyl)-4-methylbenzamide (CID 1379044) is N-cyclohexyl-3-(diethylsulfamoyl)-4-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-3-(diethylsulfamoyl)-4-methylbenzamide?
The canonical SMILES for N-cyclohexyl-3-(diethylsulfamoyl)-4-methylbenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NC2CCCCC2)ccc1C.
What is the InChIKey of N-cyclohexyl-3-(diethylsulfamoyl)-4-methylbenzamide?
The InChIKey is JUDUWSWWLDBLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-4-20(5-2)24(22,23)17-13-15(12-11-14(17)3)18(21)19-16-9-7-6-8-10-16/h11-13,16H,4-10H2,1-3H3,(H,19,21).
What are the key properties of N-cyclohexyl-3-(diethylsulfamoyl)-4-methylbenzamide?
N-cyclohexyl-3-(diethylsulfamoyl)-4-methylbenzamide has a molecular weight of 352.50 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(diethylsulfamoyl)-4-methylbenzamide is sourced from PubChem (CID 1379044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).