4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(8-methylquinolin-5-yl)benzamide

C26H23N3O4S — CID 38267137

IUPAC4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(8-methylquinolin-5-yl)benzamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(C)c4ncccc34)cc2)cc1
InChIInChI=1S/C26H23N3O4S/c1-17-5-14-24(23-4-3-15-27-25(17)23)29-26(31)21-8-6-19(7-9-21)16-28-34(32,33)22-12-10-20(11-13-22)18(2)30/h3-15,28H,16H2,1-2H3,(H,29,31)
InChIKeyUKDUAHDTVLPFKA-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.48
Rot. Bonds7

About 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(8-methylquinolin-5-yl)benzamide

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(8-methylquinolin-5-yl)benzamide (PubChem CID 38267137) has the molecular formula C26H23N3O4S and a molecular weight of 473.55 g/mol. Its IUPAC name is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(8-methylquinolin-5-yl)benzamide.

Molecular Properties

Compound Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(8-methylquinolin-5-yl)benzamide
PubChem CID38267137
Molecular FormulaC26H23N3O4S
Molecular Weight473.55 g/mol
Exact Mass473.14
IUPAC Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(8-methylquinolin-5-yl)benzamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(C)c4ncccc34)cc2)cc1
InChIInChI=1S/C26H23N3O4S/c1-17-5-14-24(23-4-3-15-27-25(17)23)29-26(31)21-8-6-19(7-9-21)16-28-34(32,33)22-12-10-20(11-13-22)18(2)30/h3-15,28H,16H2,1-2H3,(H,29,31)
InChIKeyUKDUAHDTVLPFKA-UHFFFAOYSA-N
XLogP4.48
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonamidomethyl)-N-quinolin-5-ylbenzamide
CID 42534314
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(2-methoxy-3-pyridinyl)benzamide
CID 55972406
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide
CID 34228029
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
CID 55729309
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 55965254
N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060984
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 24672701
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(8-methylquinolin-5-yl)benzamide
CID 38277483
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide
CID 29371083
5-(benzylsulfamoyl)-2-methyl-N-quinolin-5-ylbenzamide
CID 30287242
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
CID 55728144
4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide
CID 109060594

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(8-methylquinolin-5-yl)benzamide?
The IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(8-methylquinolin-5-yl)benzamide (CID 38267137) is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(8-methylquinolin-5-yl)benzamide.
What is the SMILES notation for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(8-methylquinolin-5-yl)benzamide?
The canonical SMILES for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(8-methylquinolin-5-yl)benzamide is CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(C)c4ncccc34)cc2)cc1.
What is the InChIKey of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(8-methylquinolin-5-yl)benzamide?
The InChIKey is UKDUAHDTVLPFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4S/c1-17-5-14-24(23-4-3-15-27-25(17)23)29-26(31)21-8-6-19(7-9-21)16-28-34(32,33)22-12-10-20(11-13-22)18(2)30/h3-15,28H,16H2,1-2H3,(H,29,31).
What are the key properties of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(8-methylquinolin-5-yl)benzamide?
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(8-methylquinolin-5-yl)benzamide has a molecular weight of 473.55 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(8-methylquinolin-5-yl)benzamide is sourced from PubChem (CID 38267137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).