N-[2-(cycloheptylsulfamoyl)ethyl]-3-methoxybenzamide

C17H26N2O4S — CID 7618048

IUPACN-[2-(cycloheptylsulfamoyl)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCS(=O)(=O)NC2CCCCCC2)c1
InChIInChI=1S/C17H26N2O4S/c1-23-16-10-6-7-14(13-16)17(20)18-11-12-24(21,22)19-15-8-4-2-3-5-9-15/h6-7,10,13,15,19H,2-5,8-9,11-12H2,1H3,(H,18,20)
InChIKeyHUXJYNAEENCNHU-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.07
Rot. Bonds7

About N-[2-(cycloheptylsulfamoyl)ethyl]-3-methoxybenzamide

N-[2-(cycloheptylsulfamoyl)ethyl]-3-methoxybenzamide (PubChem CID 7618048) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[2-(cycloheptylsulfamoyl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(cycloheptylsulfamoyl)ethyl]-3-methoxybenzamide
PubChem CID7618048
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[2-(cycloheptylsulfamoyl)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCS(=O)(=O)NC2CCCCCC2)c1
InChIInChI=1S/C17H26N2O4S/c1-23-16-10-6-7-14(13-16)17(20)18-11-12-24(21,22)19-15-8-4-2-3-5-9-15/h6-7,10,13,15,19H,2-5,8-9,11-12H2,1H3,(H,18,20)
InChIKeyHUXJYNAEENCNHU-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclohexylsulfamoyl)ethyl]-3,4-dimethoxybenzamide
CID 7618852
N-[2-(cyclopentylsulfamoyl)ethyl]-3-methylbenzamide
CID 110345713
N-[2-(cycloheptylsulfamoyl)ethyl]-2,4-dimethoxybenzamide
CID 7618647
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 17226027
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium
CID 7618004
3-methoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide
CID 18582832
N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide
CID 113056703
N-[2-(3-ethoxypropylsulfamoyl)ethyl]-3-methoxybenzamide
CID 7618000
N-[2-(cycloheptylsulfamoyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 7423397
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-3-methoxybenzamide
CID 7601079

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylsulfamoyl)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(cycloheptylsulfamoyl)ethyl]-3-methoxybenzamide (CID 7618048) is N-[2-(cycloheptylsulfamoyl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(cycloheptylsulfamoyl)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(cycloheptylsulfamoyl)ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCS(=O)(=O)NC2CCCCCC2)c1.
What is the InChIKey of N-[2-(cycloheptylsulfamoyl)ethyl]-3-methoxybenzamide?
The InChIKey is HUXJYNAEENCNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-23-16-10-6-7-14(13-16)17(20)18-11-12-24(21,22)19-15-8-4-2-3-5-9-15/h6-7,10,13,15,19H,2-5,8-9,11-12H2,1H3,(H,18,20).
What are the key properties of N-[2-(cycloheptylsulfamoyl)ethyl]-3-methoxybenzamide?
N-[2-(cycloheptylsulfamoyl)ethyl]-3-methoxybenzamide has a molecular weight of 354.47 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylsulfamoyl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 7618048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).