2-[2-[2-[benzenesulfonyl(methyl)amino]ethyl]benzimidazol-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide

C27H28N4O3S — CID 162644335

IUPAC2-[2-[2-[benzenesulfonyl(methyl)amino]ethyl]benzimidazol-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESCN(CCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)CCC2)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H28N4O3S/c1-30(35(33,34)23-10-3-2-4-11-23)17-16-26-29-24-12-5-6-13-25(24)31(26)19-27(32)28-22-15-14-20-8-7-9-21(20)18-22/h2-6,10-15,18H,7-9,16-17,19H2,1H3,(H,28,32)
InChIKeyUKXFMMMDLFPBJW-UHFFFAOYSA-N
MW488.61 g/mol
LogP4.03
Rot. Bonds8

About 2-[2-[2-[benzenesulfonyl(methyl)amino]ethyl]benzimidazol-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide

2-[2-[2-[benzenesulfonyl(methyl)amino]ethyl]benzimidazol-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 162644335) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is 2-[2-[2-[benzenesulfonyl(methyl)amino]ethyl]benzimidazol-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound Name2-[2-[2-[benzenesulfonyl(methyl)amino]ethyl]benzimidazol-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID162644335
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC Name2-[2-[2-[benzenesulfonyl(methyl)amino]ethyl]benzimidazol-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESCN(CCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)CCC2)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H28N4O3S/c1-30(35(33,34)23-10-3-2-4-11-23)17-16-26-29-24-12-5-6-13-25(24)31(26)19-27(32)28-22-15-14-20-8-7-9-21(20)18-22/h2-6,10-15,18H,7-9,16-17,19H2,1H3,(H,28,32)
InChIKeyUKXFMMMDLFPBJW-UHFFFAOYSA-N
XLogP4.03
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[benzenesulfonyl(methyl)amino]ethyl]benzimidazol-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of 2-[2-[2-[benzenesulfonyl(methyl)amino]ethyl]benzimidazol-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide (CID 162644335) is 2-[2-[2-[benzenesulfonyl(methyl)amino]ethyl]benzimidazol-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for 2-[2-[2-[benzenesulfonyl(methyl)amino]ethyl]benzimidazol-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for 2-[2-[2-[benzenesulfonyl(methyl)amino]ethyl]benzimidazol-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide is CN(CCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)CCC2)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[2-[2-[benzenesulfonyl(methyl)amino]ethyl]benzimidazol-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is UKXFMMMDLFPBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S/c1-30(35(33,34)23-10-3-2-4-11-23)17-16-26-29-24-12-5-6-13-25(24)31(26)19-27(32)28-22-15-14-20-8-7-9-21(20)18-22/h2-6,10-15,18H,7-9,16-17,19H2,1H3,(H,28,32).
What are the key properties of 2-[2-[2-[benzenesulfonyl(methyl)amino]ethyl]benzimidazol-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
2-[2-[2-[benzenesulfonyl(methyl)amino]ethyl]benzimidazol-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 488.61 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[benzenesulfonyl(methyl)amino]ethyl]benzimidazol-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 162644335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).