N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide

C19H31N3O4S — CID 119620168

IUPACN-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NCCNC2CCCCCC2)cc1
InChIInChI=1S/C19H31N3O4S/c1-26-15-14-22-27(24,25)18-10-8-16(9-11-18)19(23)21-13-12-20-17-6-4-2-3-5-7-17/h8-11,17,20,22H,2-7,12-15H2,1H3,(H,21,23)
InChIKeyHBKGMGUIJKBZMB-UHFFFAOYSA-N
MW397.54 g/mol
LogP1.65
Rot. Bonds10

About N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide

N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 119620168) has the molecular formula C19H31N3O4S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
PubChem CID119620168
Molecular FormulaC19H31N3O4S
Molecular Weight397.54 g/mol
Exact Mass397.20
IUPAC NameN-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NCCNC2CCCCCC2)cc1
InChIInChI=1S/C19H31N3O4S/c1-26-15-14-22-27(24,25)18-10-8-16(9-11-18)19(23)21-13-12-20-17-6-4-2-3-5-7-17/h8-11,17,20,22H,2-7,12-15H2,1H3,(H,21,23)
InChIKeyHBKGMGUIJKBZMB-UHFFFAOYSA-N
XLogP1.65
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297166
N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide
CID 119620956
N-[2-(cycloheptylamino)ethyl]-4-(3-methoxypropoxy)benzamide
CID 119620313
4-(cyclopentylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 109059323
4-(2-methoxyethylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119426387
4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide
CID 17464043
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 38105049
4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide
CID 119387792
N-[2-(cycloheptylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119621364
4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656660
N-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 34190671
cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678088

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide (CID 119620168) is N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1ccc(C(=O)NCCNC2CCCCCC2)cc1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is HBKGMGUIJKBZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S/c1-26-15-14-22-27(24,25)18-10-8-16(9-11-18)19(23)21-13-12-20-17-6-4-2-3-5-7-17/h8-11,17,20,22H,2-7,12-15H2,1H3,(H,21,23).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 397.54 g/mol, XLogP of 1.65, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 119620168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).