3-[benzyl(ethyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide

C24H32N2O4S — CID 2090715

IUPAC3-[benzyl(ethyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)NC2CCCCCC2)ccc1OC
InChIInChI=1S/C24H32N2O4S/c1-3-26(18-19-11-7-6-8-12-19)31(28,29)23-17-20(15-16-22(23)30-2)24(27)25-21-13-9-4-5-10-14-21/h6-8,11-12,15-17,21H,3-5,9-10,13-14,18H2,1-2H3,(H,25,27)
InChIKeyOYPQJHYWTRIGMH-UHFFFAOYSA-N
MW444.60 g/mol
LogP4.36
Rot. Bonds8

About 3-[benzyl(ethyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide

3-[benzyl(ethyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide (PubChem CID 2090715) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is 3-[benzyl(ethyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide.

Molecular Properties

Compound Name3-[benzyl(ethyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide
PubChem CID2090715
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC Name3-[benzyl(ethyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)NC2CCCCCC2)ccc1OC
InChIInChI=1S/C24H32N2O4S/c1-3-26(18-19-11-7-6-8-12-19)31(28,29)23-17-20(15-16-22(23)30-2)24(27)25-21-13-9-4-5-10-14-21/h6-8,11-12,15-17,21H,3-5,9-10,13-14,18H2,1-2H3,(H,25,27)
InChIKeyOYPQJHYWTRIGMH-UHFFFAOYSA-N
XLogP4.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide?
The IUPAC name of 3-[benzyl(ethyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide (CID 2090715) is 3-[benzyl(ethyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide.
What is the SMILES notation for 3-[benzyl(ethyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide?
The canonical SMILES for 3-[benzyl(ethyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide is CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)NC2CCCCCC2)ccc1OC.
What is the InChIKey of 3-[benzyl(ethyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide?
The InChIKey is OYPQJHYWTRIGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-3-26(18-19-11-7-6-8-12-19)31(28,29)23-17-20(15-16-22(23)30-2)24(27)25-21-13-9-4-5-10-14-21/h6-8,11-12,15-17,21H,3-5,9-10,13-14,18H2,1-2H3,(H,25,27).
What are the key properties of 3-[benzyl(ethyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide?
3-[benzyl(ethyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide has a molecular weight of 444.60 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide is sourced from PubChem (CID 2090715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).