2-chloro-5-(2-methoxyethylsulfamoyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide

C20H23ClN4O4S — CID 31789852

IUPAC2-chloro-5-(2-methoxyethylsulfamoyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
SMILESCOCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCn2c(C)nc3ccccc32)c1
InChIInChI=1S/C20H23ClN4O4S/c1-14-24-18-5-3-4-6-19(18)25(14)11-9-22-20(26)16-13-15(7-8-17(16)21)30(27,28)23-10-12-29-2/h3-8,13,23H,9-12H2,1-2H3,(H,22,26)
InChIKeyAHYDFBICIPLNNG-UHFFFAOYSA-N
MW450.95 g/mol
LogP2.35
Rot. Bonds9

About 2-chloro-5-(2-methoxyethylsulfamoyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide

2-chloro-5-(2-methoxyethylsulfamoyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide (PubChem CID 31789852) has the molecular formula C20H23ClN4O4S and a molecular weight of 450.95 g/mol. Its IUPAC name is 2-chloro-5-(2-methoxyethylsulfamoyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(2-methoxyethylsulfamoyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
PubChem CID31789852
Molecular FormulaC20H23ClN4O4S
Molecular Weight450.95 g/mol
Exact Mass450.11
IUPAC Name2-chloro-5-(2-methoxyethylsulfamoyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
SMILESCOCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCn2c(C)nc3ccccc32)c1
InChIInChI=1S/C20H23ClN4O4S/c1-14-24-18-5-3-4-6-19(18)25(14)11-9-22-20(26)16-13-15(7-8-17(16)21)30(27,28)23-10-12-29-2/h3-8,13,23H,9-12H2,1-2H3,(H,22,26)
InChIKeyAHYDFBICIPLNNG-UHFFFAOYSA-N
XLogP2.35
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.95
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-(methylsulfamoyl)benzamide
CID 35800173
5-(ethylsulfamoyl)-2-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 55913591
5-(diethylsulfamoyl)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 26444084
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 26443914
4-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzenesulfonamide
CID 1447983
2-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(2-methoxyethylsulfamoyl)benzamide
CID 39969897
2-hydroxy-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 31848598
2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 110292027
3-chloro-4-ethoxy-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 26444068
4-(2-methoxyethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-nitrobenzamide
CID 24516350
4,5-dichloro-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 78839389
5-acetamido-2-(methanesulfonamido)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 56516205

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-methoxyethylsulfamoyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-5-(2-methoxyethylsulfamoyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide (CID 31789852) is 2-chloro-5-(2-methoxyethylsulfamoyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-5-(2-methoxyethylsulfamoyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-5-(2-methoxyethylsulfamoyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide is COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCn2c(C)nc3ccccc32)c1.
What is the InChIKey of 2-chloro-5-(2-methoxyethylsulfamoyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
The InChIKey is AHYDFBICIPLNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O4S/c1-14-24-18-5-3-4-6-19(18)25(14)11-9-22-20(26)16-13-15(7-8-17(16)21)30(27,28)23-10-12-29-2/h3-8,13,23H,9-12H2,1-2H3,(H,22,26).
What are the key properties of 2-chloro-5-(2-methoxyethylsulfamoyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
2-chloro-5-(2-methoxyethylsulfamoyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide has a molecular weight of 450.95 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-methoxyethylsulfamoyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 31789852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).