5-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride

C23H30Cl2N2O4S — CID 69217676

IUPAC5-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1cc(C(=O)CCCCN(C)CCc2ccccc2Cl)cc2c1OCC2.Cl
InChIInChI=1S/C23H29ClN2O4S.ClH/c1-25-31(28,29)22-16-19(15-18-11-14-30-23(18)22)21(27)9-5-6-12-26(2)13-10-17-7-3-4-8-20(17)24;/h3-4,7-8,15-16,25H,5-6,9-14H2,1-2H3;1H
InChIKeyMHNACONHKDJQKP-UHFFFAOYSA-N
MW501.48 g/mol
LogP4.13
Rot. Bonds11

About 5-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride

5-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride (PubChem CID 69217676) has the molecular formula C23H30Cl2N2O4S and a molecular weight of 501.48 g/mol. Its IUPAC name is 5-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
PubChem CID69217676
Molecular FormulaC23H30Cl2N2O4S
Molecular Weight501.48 g/mol
Exact Mass500.13
IUPAC Name5-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1cc(C(=O)CCCCN(C)CCc2ccccc2Cl)cc2c1OCC2.Cl
InChIInChI=1S/C23H29ClN2O4S.ClH/c1-25-31(28,29)22-16-19(15-18-11-14-30-23(18)22)21(27)9-5-6-12-26(2)13-10-17-7-3-4-8-20(17)24;/h3-4,7-8,15-16,25H,5-6,9-14H2,1-2H3;1H
InChIKeyMHNACONHKDJQKP-UHFFFAOYSA-N
XLogP4.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[7-(methylsulfamoyl)-2,3-dihydro-1-benzofuran-5-yl]-5-oxopentyl]-[2-[2-(trifluoromethoxy)phenyl]ethyl]carbamic acid
CID 69400814
N-methyl-5-[5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]pentanoyl]-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 69400630
5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-N,N-dimethyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 174474749
5-[2-(2-chlorophenyl)ethyl-methylamino]-1-[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]pentan-1-one
CID 142261137
1-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(2-methoxyphenyl)ethyl-methylamino]pentan-1-one
CID 141068958
tert-butyl N-[5-oxo-5-[7-(propan-2-ylsulfamoyl)-2,3-dihydro-1-benzofuran-5-yl]pentyl]-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]carbamate
CID 58870462
6-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-1,3-dimethyl-4H-quinazolin-2-one
CID 11704613
5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-sulfonyl chloride
CID 58737227
5-hexanoyl-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 58870431
6-[5-[2-(2-chlorophenyl)ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfonamide;hydrochloride
CID 69416851
2-(2-chlorophenyl)ethyl N-tert-butyl-N-[5-oxo-5-(7-sulfamoyl-2,3-dihydro-1H-inden-5-yl)pentyl]carbamate
CID 91566797
N-[5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-yl]methanesulfonamide
CID 58870445

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride?
The IUPAC name of 5-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride (CID 69217676) is 5-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride.
What is the SMILES notation for 5-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride?
The canonical SMILES for 5-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride is CNS(=O)(=O)c1cc(C(=O)CCCCN(C)CCc2ccccc2Cl)cc2c1OCC2.Cl.
What is the InChIKey of 5-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride?
The InChIKey is MHNACONHKDJQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O4S.ClH/c1-25-31(28,29)22-16-19(15-18-11-14-30-23(18)22)21(27)9-5-6-12-26(2)13-10-17-7-3-4-8-20(17)24;/h3-4,7-8,15-16,25H,5-6,9-14H2,1-2H3;1H.
What are the key properties of 5-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride?
5-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride has a molecular weight of 501.48 g/mol, XLogP of 4.13, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride is sourced from PubChem (CID 69217676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).