N-[2-(4-methoxyphenyl)ethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C24H26N2O4S — CID 2198187

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-18-4-14-23(15-5-18)31(28,29)26(2)21-10-8-20(9-11-21)24(27)25-17-16-19-6-12-22(30-3)13-7-19/h4-15H,16-17H2,1-3H3,(H,25,27)
InChIKeyPQOHBKRUUVOGQJ-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.80
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N-[2-(4-methoxyphenyl)ethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 2198187) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID2198187
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-18-4-14-23(15-5-18)31(28,29)26(2)21-10-8-20(9-11-21)24(27)25-17-16-19-6-12-22(30-3)13-7-19/h4-15H,16-17H2,1-3H3,(H,25,27)
InChIKeyPQOHBKRUUVOGQJ-UHFFFAOYSA-N
XLogP3.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 822776
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-[1-(4-methoxy-benzenesulfonyl)-2,3-dihydro-1H-indol-7-yl]-benzamide
CID 25168005
3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
4-{[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino}benzenesulfonamide
CID 2248175
3-[[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 168276560
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2106114
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2340937
4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2519306
N-{4-[(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)methyl]phenyl}-4-methoxybenzamide
CID 2811596
N-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 3900901
4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 4789238

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 2198187) is N-[2-(4-methoxyphenyl)ethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is COc1ccc(CCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is PQOHBKRUUVOGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-18-4-14-23(15-5-18)31(28,29)26(2)21-10-8-20(9-11-21)24(27)25-17-16-19-6-12-22(30-3)13-7-19/h4-15H,16-17H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-[2-(4-methoxyphenyl)ethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 438.55 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 2198187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).