N-[2-(cycloheptylsulfamoyl)ethyl]-2,4-dimethoxybenzamide

C18H28N2O5S — CID 7618647

IUPACN-[2-(cycloheptylsulfamoyl)ethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)NC2CCCCCC2)c(OC)c1
InChIInChI=1S/C18H28N2O5S/c1-24-15-9-10-16(17(13-15)25-2)18(21)19-11-12-26(22,23)20-14-7-5-3-4-6-8-14/h9-10,13-14,20H,3-8,11-12H2,1-2H3,(H,19,21)
InChIKeyKYNPPHRADTVUDL-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.08
Rot. Bonds8

About N-[2-(cycloheptylsulfamoyl)ethyl]-2,4-dimethoxybenzamide

N-[2-(cycloheptylsulfamoyl)ethyl]-2,4-dimethoxybenzamide (PubChem CID 7618647) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[2-(cycloheptylsulfamoyl)ethyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(cycloheptylsulfamoyl)ethyl]-2,4-dimethoxybenzamide
PubChem CID7618647
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC NameN-[2-(cycloheptylsulfamoyl)ethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)NC2CCCCCC2)c(OC)c1
InChIInChI=1S/C18H28N2O5S/c1-24-15-9-10-16(17(13-15)25-2)18(21)19-11-12-26(22,23)20-14-7-5-3-4-6-8-14/h9-10,13-14,20H,3-8,11-12H2,1-2H3,(H,19,21)
InChIKeyKYNPPHRADTVUDL-UHFFFAOYSA-N
XLogP2.08
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cycloheptylsulfamoyl)ethyl]-3-methoxybenzamide
CID 7618048
N-[2-(cyclohexylsulfamoyl)ethyl]-3,4-dimethoxybenzamide
CID 7618852
N-[3-(cyclopropylamino)propyl]-2,4-dimethoxybenzamide
CID 43596570
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
2,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide
CID 60894812
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
N-[2-(cyclopentylsulfamoyl)ethyl]-3-methylbenzamide
CID 110345713
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dimethoxybenzamide
CID 121120244

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylsulfamoyl)ethyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[2-(cycloheptylsulfamoyl)ethyl]-2,4-dimethoxybenzamide (CID 7618647) is N-[2-(cycloheptylsulfamoyl)ethyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(cycloheptylsulfamoyl)ethyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(cycloheptylsulfamoyl)ethyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NCCS(=O)(=O)NC2CCCCCC2)c(OC)c1.
What is the InChIKey of N-[2-(cycloheptylsulfamoyl)ethyl]-2,4-dimethoxybenzamide?
The InChIKey is KYNPPHRADTVUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-24-15-9-10-16(17(13-15)25-2)18(21)19-11-12-26(22,23)20-14-7-5-3-4-6-8-14/h9-10,13-14,20H,3-8,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(cycloheptylsulfamoyl)ethyl]-2,4-dimethoxybenzamide?
N-[2-(cycloheptylsulfamoyl)ethyl]-2,4-dimethoxybenzamide has a molecular weight of 384.50 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylsulfamoyl)ethyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 7618647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).