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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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).