4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide

C26H24N4O4S — CID 55728144

IUPAC4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccc(-c4ccn[nH]4)cc3)cc2)cc1
InChIInChI=1S/C26H24N4O4S/c1-18(31)21-10-12-24(13-11-21)35(33,34)29-17-20-4-8-23(9-5-20)26(32)27-16-19-2-6-22(7-3-19)25-14-15-28-30-25/h2-15,29H,16-17H2,1H3,(H,27,32)(H,28,30)
InChIKeyZMBFZYKVJWBLIO-UHFFFAOYSA-N
MW488.57 g/mol
LogP3.69
Rot. Bonds9

About 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide (PubChem CID 55728144) has the molecular formula C26H24N4O4S and a molecular weight of 488.57 g/mol. Its IUPAC name is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
PubChem CID55728144
Molecular FormulaC26H24N4O4S
Molecular Weight488.57 g/mol
Exact Mass488.15
IUPAC Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccc(-c4ccn[nH]4)cc3)cc2)cc1
InChIInChI=1S/C26H24N4O4S/c1-18(31)21-10-12-24(13-11-21)35(33,34)29-17-20-4-8-23(9-5-20)26(32)27-16-19-2-6-22(7-3-19)25-14-15-28-30-25/h2-15,29H,16-17H2,1H3,(H,27,32)(H,28,30)
InChIKeyZMBFZYKVJWBLIO-UHFFFAOYSA-N
XLogP3.69
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
CID 8621593
3-[[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]methyl]-N-methylbenzamide
CID 30858865
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
CID 86951535
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 24672701
propan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate
CID 56543920
2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-5-sulfamoylbenzamide
CID 55840948
N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 5073710
N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide
CID 55840954
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide
CID 29371083
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide
CID 39969798

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide?
The IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide (CID 55728144) is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide?
The canonical SMILES for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide is CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccc(-c4ccn[nH]4)cc3)cc2)cc1.
What is the InChIKey of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide?
The InChIKey is ZMBFZYKVJWBLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S/c1-18(31)21-10-12-24(13-11-21)35(33,34)29-17-20-4-8-23(9-5-20)26(32)27-16-19-2-6-22(7-3-19)25-14-15-28-30-25/h2-15,29H,16-17H2,1H3,(H,27,32)(H,28,30).
What are the key properties of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide?
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide has a molecular weight of 488.57 g/mol, XLogP of 3.69, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 55728144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).