N-benzyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide

C26H26N4O3S — CID 10162503

IUPACN-benzyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(Cc2ccccc2)Cc2nccn2C)cc1
InChIInChI=1S/C26H26N4O3S/c1-20-12-14-22(15-13-20)34(32,33)28-24-11-7-6-10-23(24)26(31)30(18-21-8-4-3-5-9-21)19-25-27-16-17-29(25)2/h3-17,28H,18-19H2,1-2H3
InChIKeyXHPWQMCZEGXZNX-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.37
Rot. Bonds8

About N-benzyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide

N-benzyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 10162503) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-benzyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID10162503
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC NameN-benzyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(Cc2ccccc2)Cc2nccn2C)cc1
InChIInChI=1S/C26H26N4O3S/c1-20-12-14-22(15-13-20)34(32,33)28-24-11-7-6-10-23(24)26(31)30(18-21-8-4-3-5-9-21)19-25-27-16-17-29(25)2/h3-17,28H,18-19H2,1-2H3
InChIKeyXHPWQMCZEGXZNX-UHFFFAOYSA-N
XLogP4.37
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-benzyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide (CID 10162503) is N-benzyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-benzyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-benzyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(Cc2ccccc2)Cc2nccn2C)cc1.
What is the InChIKey of N-benzyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is XHPWQMCZEGXZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-20-12-14-22(15-13-20)34(32,33)28-24-11-7-6-10-23(24)26(31)30(18-21-8-4-3-5-9-21)19-25-27-16-17-29(25)2/h3-17,28H,18-19H2,1-2H3.
What are the key properties of N-benzyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
N-benzyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 474.59 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 10162503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).