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

C17H27N3O3S — CID 119619320

IUPACN-[2-(cycloheptylamino)ethyl]-4-(sulfamoylmethyl)benzamide
SMILESNS(=O)(=O)Cc1ccc(C(=O)NCCNC2CCCCCC2)cc1
InChIInChI=1S/C17H27N3O3S/c18-24(22,23)13-14-7-9-15(10-8-14)17(21)20-12-11-19-16-5-3-1-2-4-6-16/h7-10,16,19H,1-6,11-13H2,(H,20,21)(H2,18,22,23)
InChIKeyBXYLEVGUOLNTRC-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.52
Rot. Bonds7

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

N-[2-(cycloheptylamino)ethyl]-4-(sulfamoylmethyl)benzamide (PubChem CID 119619320) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-4-(sulfamoylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-4-(sulfamoylmethyl)benzamide
PubChem CID119619320
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-[2-(cycloheptylamino)ethyl]-4-(sulfamoylmethyl)benzamide
SMILESNS(=O)(=O)Cc1ccc(C(=O)NCCNC2CCCCCC2)cc1
InChIInChI=1S/C17H27N3O3S/c18-24(22,23)13-14-7-9-15(10-8-14)17(21)20-12-11-19-16-5-3-1-2-4-6-16/h7-10,16,19H,1-6,11-13H2,(H,20,21)(H2,18,22,23)
InChIKeyBXYLEVGUOLNTRC-UHFFFAOYSA-N
XLogP1.52
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide
CID 115306464
N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide
CID 119620956
N-[2-(cycloheptylamino)ethyl]-5-sulfamoylfuran-2-carboxamide;hydrochloride
CID 119619609
1-N,4-N-bis[4-[2-(cyclohexylamino)ethylamino]butyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 512375
N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 119620168
N-[2-(cycloheptylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119621364
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
4-bromo-N-[2-(cycloheptylamino)ethyl]-3-fluorobenzamide
CID 115306485
N-[2-(cycloheptylamino)ethyl]-4-(3-methoxypropoxy)benzamide
CID 119620313
N-[2-(cycloheptylamino)ethyl]-4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 119620286
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
N-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 99949383

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-4-(sulfamoylmethyl)benzamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-4-(sulfamoylmethyl)benzamide (CID 119619320) is N-[2-(cycloheptylamino)ethyl]-4-(sulfamoylmethyl)benzamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-4-(sulfamoylmethyl)benzamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-4-(sulfamoylmethyl)benzamide is NS(=O)(=O)Cc1ccc(C(=O)NCCNC2CCCCCC2)cc1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-4-(sulfamoylmethyl)benzamide?
The InChIKey is BXYLEVGUOLNTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c18-24(22,23)13-14-7-9-15(10-8-14)17(21)20-12-11-19-16-5-3-1-2-4-6-16/h7-10,16,19H,1-6,11-13H2,(H,20,21)(H2,18,22,23).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-4-(sulfamoylmethyl)benzamide?
N-[2-(cycloheptylamino)ethyl]-4-(sulfamoylmethyl)benzamide has a molecular weight of 353.49 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-4-(sulfamoylmethyl)benzamide is sourced from PubChem (CID 119619320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).