N-[3-(1H-benzimidazol-2-yl)propyl]-3-(ethylsulfamoyl)benzamide

C19H22N4O3S — CID 30359896

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-3-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NCCCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H22N4O3S/c1-2-21-27(25,26)15-8-5-7-14(13-15)19(24)20-12-6-11-18-22-16-9-3-4-10-17(16)23-18/h3-5,7-10,13,21H,2,6,11-12H2,1H3,(H,20,24)(H,22,23)
InChIKeyDPGSDZJMUFGFHW-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.22
Rot. Bonds8

About N-[3-(1H-benzimidazol-2-yl)propyl]-3-(ethylsulfamoyl)benzamide

N-[3-(1H-benzimidazol-2-yl)propyl]-3-(ethylsulfamoyl)benzamide (PubChem CID 30359896) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-3-(ethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-3-(ethylsulfamoyl)benzamide
PubChem CID30359896
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-3-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NCCCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H22N4O3S/c1-2-21-27(25,26)15-8-5-7-14(13-15)19(24)20-12-6-11-18-22-16-9-3-4-10-17(16)23-18/h3-5,7-10,13,21H,2,6,11-12H2,1H3,(H,20,24)(H,22,23)
InChIKeyDPGSDZJMUFGFHW-UHFFFAOYSA-N
XLogP2.22
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(1H-benzimidazol-2-yl)propyl]-3-(ethylsulfamoyl)benzamide 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-[3-(1H-benzimidazol-2-yl)propyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 17438166
3-(ethylsulfamoyl)-N-hexylbenzamide
CID 46538065
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 17474306
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 122564722
N-(1H-benzimidazol-2-ylmethyl)-3-(cyclopropylsulfamoyl)benzamide
CID 18105121
N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide
CID 36806947
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide
CID 21008909
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide
CID 42151221

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(ethylsulfamoyl)benzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(ethylsulfamoyl)benzamide (CID 30359896) is N-[3-(1H-benzimidazol-2-yl)propyl]-3-(ethylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-3-(ethylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-3-(ethylsulfamoyl)benzamide is CCNS(=O)(=O)c1cccc(C(=O)NCCCc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(ethylsulfamoyl)benzamide?
The InChIKey is DPGSDZJMUFGFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-2-21-27(25,26)15-8-5-7-14(13-15)19(24)20-12-6-11-18-22-16-9-3-4-10-17(16)23-18/h3-5,7-10,13,21H,2,6,11-12H2,1H3,(H,20,24)(H,22,23).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(ethylsulfamoyl)benzamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(ethylsulfamoyl)benzamide has a molecular weight of 386.48 g/mol, XLogP of 2.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-3-(ethylsulfamoyl)benzamide is sourced from PubChem (CID 30359896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).