N-[2-(cycloheptylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride

C20H34ClN3O3S — CID 119621364

IUPACN-[2-(cycloheptylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)NCCNC2CCCCCC2)cc1.Cl
InChIInChI=1S/C20H33N3O3S.ClH/c1-16(2)23(3)27(25,26)19-12-10-17(11-13-19)20(24)22-15-14-21-18-8-6-4-5-7-9-18;/h10-13,16,18,21H,4-9,14-15H2,1-3H3,(H,22,24);1H
InChIKeyMUBVWAFKZRSQJO-UHFFFAOYSA-N
MW432.03 g/mol
LogP3.18
Rot. Bonds8

About N-[2-(cycloheptylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride (PubChem CID 119621364) has the molecular formula C20H34ClN3O3S and a molecular weight of 432.03 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
PubChem CID119621364
Molecular FormulaC20H34ClN3O3S
Molecular Weight432.03 g/mol
Exact Mass431.20
IUPAC NameN-[2-(cycloheptylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)NCCNC2CCCCCC2)cc1.Cl
InChIInChI=1S/C20H33N3O3S.ClH/c1-16(2)23(3)27(25,26)19-12-10-17(11-13-19)20(24)22-15-14-21-18-8-6-4-5-7-9-18;/h10-13,16,18,21H,4-9,14-15H2,1-3H3,(H,22,24);1H
InChIKeyMUBVWAFKZRSQJO-UHFFFAOYSA-N
XLogP3.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.03
LogP ≤ 53.18
H-Bond Donors ≤ 52
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-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297875
N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 119620168
N-(2-amino-1-cyclohexylethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 119591997
N-(4-methylpentyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33076936
N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide
CID 115306464
N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide
CID 119620956
N-[[(1S,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 96526786
N-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
CID 119384031
N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55656712
N-[2-(cycloheptylamino)ethyl]-4-(sulfamoylmethyl)benzamide
CID 119619320
N-[2-(2-methoxyethoxy)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55685287
N-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 55805978

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride (CID 119621364) is N-[2-(cycloheptylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride is CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NCCNC2CCCCCC2)cc1.Cl.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride?
The InChIKey is MUBVWAFKZRSQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S.ClH/c1-16(2)23(3)27(25,26)19-12-10-17(11-13-19)20(24)22-15-14-21-18-8-6-4-5-7-9-18;/h10-13,16,18,21H,4-9,14-15H2,1-3H3,(H,22,24);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride has a molecular weight of 432.03 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 119621364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).