4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(2-methoxy-3-pyridinyl)benzamide

C22H22N4O5S — CID 55972406

IUPAC4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(2-methoxy-3-pyridinyl)benzamide
SMILESCOc1ncccc1NC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C22H22N4O5S/c1-15(27)25-18-9-11-19(12-10-18)32(29,30)24-14-16-5-7-17(8-6-16)21(28)26-20-4-3-13-23-22(20)31-2/h3-13,24H,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyJSYOGMFVIHCJBL-UHFFFAOYSA-N
MW454.51 g/mol
LogP2.78
Rot. Bonds8

About 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(2-methoxy-3-pyridinyl)benzamide

4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(2-methoxy-3-pyridinyl)benzamide (PubChem CID 55972406) has the molecular formula C22H22N4O5S and a molecular weight of 454.51 g/mol. Its IUPAC name is 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(2-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(2-methoxy-3-pyridinyl)benzamide
PubChem CID55972406
Molecular FormulaC22H22N4O5S
Molecular Weight454.51 g/mol
Exact Mass454.13
IUPAC Name4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(2-methoxy-3-pyridinyl)benzamide
SMILESCOc1ncccc1NC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C22H22N4O5S/c1-15(27)25-18-9-11-19(12-10-18)32(29,30)24-14-16-5-7-17(8-6-16)21(28)26-20-4-3-13-23-22(20)31-2/h3-13,24H,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyJSYOGMFVIHCJBL-UHFFFAOYSA-N
XLogP2.78
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775887
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 27548773
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(8-methylquinolin-5-yl)benzamide
CID 38267137
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830
4-(benzenesulfonamidomethyl)-N-quinolin-5-ylbenzamide
CID 42534314
N-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060995
4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide
CID 46385858
N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide
CID 29371083
N-(2-cyanophenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060998
N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide
CID 110780438

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(2-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(2-methoxy-3-pyridinyl)benzamide (CID 55972406) is 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(2-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(2-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(2-methoxy-3-pyridinyl)benzamide is COc1ncccc1NC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(2-methoxy-3-pyridinyl)benzamide?
The InChIKey is JSYOGMFVIHCJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5S/c1-15(27)25-18-9-11-19(12-10-18)32(29,30)24-14-16-5-7-17(8-6-16)21(28)26-20-4-3-13-23-22(20)31-2/h3-13,24H,14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(2-methoxy-3-pyridinyl)benzamide?
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(2-methoxy-3-pyridinyl)benzamide has a molecular weight of 454.51 g/mol, XLogP of 2.78, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(2-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 55972406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).