N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C19H22N2O4S — CID 51113538

IUPACN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCNC(=O)C2Cc3ccccc3O2)c1
InChIInChI=1S/C19H22N2O4S/c1-13-7-8-14(2)18(11-13)26(23,24)21-10-9-20-19(22)17-12-15-5-3-4-6-16(15)25-17/h3-8,11,17,21H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyLCTFRQAPQKDZKN-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.70
Rot. Bonds6

About N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 51113538) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID51113538
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCNC(=O)C2Cc3ccccc3O2)c1
InChIInChI=1S/C19H22N2O4S/c1-13-7-8-14(2)18(11-13)26(23,24)21-10-9-20-19(22)17-12-15-5-3-4-6-16(15)25-17/h3-8,11,17,21H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyLCTFRQAPQKDZKN-UHFFFAOYSA-N
XLogP1.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide 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

N-[2-(ethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119507846
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 24663420
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26708035
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134054969
N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133562
2,3-dihydro-1-benzofuran-2-yl-(2,4-dimethylphenyl)methanone
CID 43337896
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 43001919
1-tert-butyl-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108572293
N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60896123
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 113295190

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 51113538) is N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)C2Cc3ccccc3O2)c1.
What is the InChIKey of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is LCTFRQAPQKDZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13-7-8-14(2)18(11-13)26(23,24)21-10-9-20-19(22)17-12-15-5-3-4-6-16(15)25-17/h3-8,11,17,21H,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51113538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).