2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide

C22H22N2O4S — CID 1318518

IUPAC2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H22N2O4S/c1-17-12-14-19(15-13-17)29(26,27)24(20-10-6-7-11-21(20)28-2)16-22(25)23-18-8-4-3-5-9-18/h3-15H,16H2,1-2H3,(H,23,25)
InChIKeyAFYVQPHDDRNTHU-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.84
Rot. Bonds7

About 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide

2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide (PubChem CID 1318518) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide
PubChem CID1318518
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H22N2O4S/c1-17-12-14-19(15-13-17)29(26,27)24(20-10-6-7-11-21(20)28-2)16-22(25)23-18-8-4-3-5-9-18/h3-15H,16H2,1-2H3,(H,23,25)
InChIKeyAFYVQPHDDRNTHU-UHFFFAOYSA-N
XLogP3.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide?
The IUPAC name of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide (CID 1318518) is 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide.
What is the SMILES notation for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide?
The canonical SMILES for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide is COc1ccccc1N(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide?
The InChIKey is AFYVQPHDDRNTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-17-12-14-19(15-13-17)29(26,27)24(20-10-6-7-11-21(20)28-2)16-22(25)23-18-8-4-3-5-9-18/h3-15H,16H2,1-2H3,(H,23,25).
What are the key properties of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide?
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide has a molecular weight of 410.50 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide is sourced from PubChem (CID 1318518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).