4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide

C26H26N4O4S — CID 39969798

IUPAC4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide
SMILESCCn1c(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)nc2ccccc21
InChIInChI=1S/C26H26N4O4S/c1-3-30-24-7-5-4-6-23(24)29-25(30)17-27-26(32)21-10-8-19(9-11-21)16-28-35(33,34)22-14-12-20(13-15-22)18(2)31/h4-15,28H,3,16-17H2,1-2H3,(H,27,32)
InChIKeyMWPARIXPLBMLPX-UHFFFAOYSA-N
MW490.59 g/mol
LogP3.67
Rot. Bonds9

About 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 39969798) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide
PubChem CID39969798
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide
SMILESCCn1c(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)nc2ccccc21
InChIInChI=1S/C26H26N4O4S/c1-3-30-24-7-5-4-6-23(24)29-25(30)17-27-26(32)21-10-8-19(9-11-21)16-28-35(33,34)22-14-12-20(13-15-22)18(2)31/h4-15,28H,3,16-17H2,1-2H3,(H,27,32)
InChIKeyMWPARIXPLBMLPX-UHFFFAOYSA-N
XLogP3.67
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide
CID 18116771
N-[[4-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 55408744
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide
CID 55408980
N-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 71944245
4-chloro-3-(dimethylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide
CID 55408900
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55408997
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
CID 8621593
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 24672701
6-cyano-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 90650149
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]benzamide
CID 41139381
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 17477086
3-[[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]methyl]-N-methylbenzamide
CID 30858865

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide (CID 39969798) is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide is CCn1c(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)nc2ccccc21.
What is the InChIKey of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is MWPARIXPLBMLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-3-30-24-7-5-4-6-23(24)29-25(30)17-27-26(32)21-10-8-19(9-11-21)16-28-35(33,34)22-14-12-20(13-15-22)18(2)31/h4-15,28H,3,16-17H2,1-2H3,(H,27,32).
What are the key properties of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide?
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 490.59 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 39969798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).