2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide

C25H28N2O4S — CID 1009982

IUPAC2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCc1ccccc1N(CC(=O)NCc1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H28N2O4S/c1-4-21-7-5-6-8-24(21)27(32(29,30)23-15-9-19(2)10-16-23)18-25(28)26-17-20-11-13-22(31-3)14-12-20/h5-16H,4,17-18H2,1-3H3,(H,26,28)
InChIKeyBVZAJOYDXJRMGX-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.08
Rot. Bonds9

About 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide

2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 1009982) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID1009982
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCc1ccccc1N(CC(=O)NCc1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H28N2O4S/c1-4-21-7-5-6-8-24(21)27(32(29,30)23-15-9-19(2)10-16-23)18-25(28)26-17-20-11-13-22(31-3)14-12-20/h5-16H,4,17-18H2,1-3H3,(H,26,28)
InChIKeyBVZAJOYDXJRMGX-UHFFFAOYSA-N
XLogP4.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide (CID 1009982) is 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide is CCc1ccccc1N(CC(=O)NCc1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is BVZAJOYDXJRMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-4-21-7-5-6-8-24(21)27(32(29,30)23-15-9-19(2)10-16-23)18-25(28)26-17-20-11-13-22(31-3)14-12-20/h5-16H,4,17-18H2,1-3H3,(H,26,28).
What are the key properties of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 1009982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).