2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide

C25H28N2O6S — CID 2860019

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NC(C)c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C25H28N2O6S/c1-18(19-8-6-5-7-9-19)26-25(28)17-27(20-10-12-21(31-2)13-11-20)34(29,30)22-14-15-23(32-3)24(16-22)33-4/h5-16,18H,17H2,1-4H3,(H,26,28)
InChIKeyJEAMDNZXOGZFSZ-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.79
Rot. Bonds10

About 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide

2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide (PubChem CID 2860019) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide
PubChem CID2860019
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NC(C)c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C25H28N2O6S/c1-18(19-8-6-5-7-9-19)26-25(28)17-27(20-10-12-21(31-2)13-11-20)34(29,30)22-14-15-23(32-3)24(16-22)33-4/h5-16,18H,17H2,1-4H3,(H,26,28)
InChIKeyJEAMDNZXOGZFSZ-UHFFFAOYSA-N
XLogP3.79
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide (CID 2860019) is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide is COc1ccc(N(CC(=O)NC(C)c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide?
The InChIKey is JEAMDNZXOGZFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-18(19-8-6-5-7-9-19)26-25(28)17-27(20-10-12-21(31-2)13-11-20)34(29,30)22-14-15-23(32-3)24(16-22)33-4/h5-16,18H,17H2,1-4H3,(H,26,28).
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide has a molecular weight of 484.57 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 2860019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).