N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide

C23H28N4O3S — CID 55389787

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCCn1c(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)nc2ccccc21
InChIInChI=1S/C23H28N4O3S/c1-3-27-21-10-6-5-9-20(21)25-22(27)16-24-23(28)19-15-18(12-11-17(19)2)31(29,30)26-13-7-4-8-14-26/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3,(H,24,28)
InChIKeyOZUJEWNBXFUHDF-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.47
Rot. Bonds6

About N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 55389787) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
PubChem CID55389787
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCCn1c(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)nc2ccccc21
InChIInChI=1S/C23H28N4O3S/c1-3-27-21-10-6-5-9-20(21)25-22(27)16-24-23(28)19-15-18(12-11-17(19)2)31(29,30)26-13-7-4-8-14-26/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3,(H,24,28)
InChIKeyOZUJEWNBXFUHDF-UHFFFAOYSA-N
XLogP3.47
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 26443914
5-(azepan-1-ylsulfonyl)-2-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 28590332
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 55465334
5-(azepan-1-ylsulfonyl)-N-butyl-2-methylbenzamide
CID 53281850
2-methyl-5-piperidin-1-ylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558214
5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 53281766
2-methyl-5-piperidin-1-ylsulfonyl-N-prop-2-ynylbenzamide
CID 7997753
N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide
CID 18116771
N-[(3-fluorophenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 53281764
5-(azepan-1-ylsulfonyl)-2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 53282284
5-(azepan-1-ylsulfonyl)-2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 30385578
2-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26677034

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide (CID 55389787) is N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide is CCn1c(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is OZUJEWNBXFUHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-3-27-21-10-6-5-9-20(21)25-22(27)16-24-23(28)19-15-18(12-11-17(19)2)31(29,30)26-13-7-4-8-14-26/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3,(H,24,28).
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 440.57 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55389787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).