N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-2-phenylethenesulfonamide

C20H23N3O3S — CID 72688822

IUPACN-[1-(3-ethoxypropyl)benzimidazol-2-yl]-2-phenylethenesulfonamide
SMILESCCOCCCn1c(NS(=O)(=O)C=Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C20H23N3O3S/c1-2-26-15-8-14-23-19-12-7-6-11-18(19)21-20(23)22-27(24,25)16-13-17-9-4-3-5-10-17/h3-7,9-13,16H,2,8,14-15H2,1H3,(H,21,22)
InChIKeyIWPHSBDSZBHDHT-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.88
Rot. Bonds9

About N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-2-phenylethenesulfonamide

N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-2-phenylethenesulfonamide (PubChem CID 72688822) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-[1-(3-ethoxypropyl)benzimidazol-2-yl]-2-phenylethenesulfonamide
PubChem CID72688822
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[1-(3-ethoxypropyl)benzimidazol-2-yl]-2-phenylethenesulfonamide
SMILESCCOCCCn1c(NS(=O)(=O)C=Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C20H23N3O3S/c1-2-26-15-8-14-23-19-12-7-6-11-18(19)21-20(23)22-27(24,25)16-13-17-9-4-3-5-10-17/h3-7,9-13,16H,2,8,14-15H2,1H3,(H,21,22)
InChIKeyIWPHSBDSZBHDHT-UHFFFAOYSA-N
XLogP3.88
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-2-phenylethenesulfonamide 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

3-amino-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]benzamide;hydrochloride
CID 119770789
N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119770793
(2S,5R)-5-(aminomethyl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]oxolane-2-carboxamide
CID 120791824
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide
CID 119770786
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888
(2S,5R)-5-(aminomethyl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120791823
1-pentyl-2-(2-phenylethenyl)benzimidazole
CID 3761593
1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine
CID 15718965
1-octadecyl-2-(2-phenylethenyl)benzimidazole
CID 4153645
(E)-N-(1-methylindazol-3-yl)-2-phenylethenesulfonamide
CID 90481083
(Z)-N-[1-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
CID 16970269
N-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N'-methyl-N'-propylethane-1,2-diamine
CID 156704942

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-2-phenylethenesulfonamide?
The IUPAC name of N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-2-phenylethenesulfonamide (CID 72688822) is N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-2-phenylethenesulfonamide.
What is the SMILES notation for N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-2-phenylethenesulfonamide?
The canonical SMILES for N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-2-phenylethenesulfonamide is CCOCCCn1c(NS(=O)(=O)C=Cc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-2-phenylethenesulfonamide?
The InChIKey is IWPHSBDSZBHDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-2-26-15-8-14-23-19-12-7-6-11-18(19)21-20(23)22-27(24,25)16-13-17-9-4-3-5-10-17/h3-7,9-13,16H,2,8,14-15H2,1H3,(H,21,22).
What are the key properties of N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-2-phenylethenesulfonamide?
N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-2-phenylethenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-2-phenylethenesulfonamide is sourced from PubChem (CID 72688822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).