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2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide

C25H28N2O5S — CID 24607004

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(N(CC(=O)NC(C)c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-18-9-15-22(16-10-18)33(29,30)27(20-11-13-21(31-3)14-12-20)17-25(28)26-19(2)23-7-5-6-8-24(23)32-4/h5-16,19H,17H2,1-4H3,(H,26,28)
InChIKeyDSPKBRDVBSATMJ-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.08
Rot. Bonds9

About 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide

2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 24607004) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID24607004
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(N(CC(=O)NC(C)c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-18-9-15-22(16-10-18)33(29,30)27(20-11-13-21(31-3)14-12-20)17-25(28)26-19(2)23-7-5-6-8-24(23)32-4/h5-16,19H,17H2,1-4H3,(H,26,28)
InChIKeyDSPKBRDVBSATMJ-UHFFFAOYSA-N
XLogP4.08
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide (CID 24607004) is 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide is COc1ccc(N(CC(=O)NC(C)c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is DSPKBRDVBSATMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-18-9-15-22(16-10-18)33(29,30)27(20-11-13-21(31-3)14-12-20)17-25(28)26-19(2)23-7-5-6-8-24(23)32-4/h5-16,19H,17H2,1-4H3,(H,26,28).
What are the key properties of 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide?
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 468.58 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 24607004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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