4-[(4-acetylphenyl)sulfonylamino]-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide

C26H27N3O6S — CID 24982861

IUPAC4-[(4-acetylphenyl)sulfonylamino]-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C26H27N3O6S/c1-4-29(17-25(31)27-21-11-13-23(35-3)14-12-21)26(32)20-5-9-22(10-6-20)28-36(33,34)24-15-7-19(8-16-24)18(2)30/h5-16,28H,4,17H2,1-3H3,(H,27,31)
InChIKeyGZQLCHVPTZLZDM-UHFFFAOYSA-N
MW509.58 g/mol
LogP3.80
Rot. Bonds10

About 4-[(4-acetylphenyl)sulfonylamino]-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide

4-[(4-acetylphenyl)sulfonylamino]-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide (PubChem CID 24982861) has the molecular formula C26H27N3O6S and a molecular weight of 509.58 g/mol. Its IUPAC name is 4-[(4-acetylphenyl)sulfonylamino]-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-[(4-acetylphenyl)sulfonylamino]-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide
PubChem CID24982861
Molecular FormulaC26H27N3O6S
Molecular Weight509.58 g/mol
Exact Mass509.16
IUPAC Name4-[(4-acetylphenyl)sulfonylamino]-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C26H27N3O6S/c1-4-29(17-25(31)27-21-11-13-23(35-3)14-12-21)26(32)20-5-9-22(10-6-20)28-36(33,34)24-15-7-19(8-16-24)18(2)30/h5-16,28H,4,17H2,1-3H3,(H,27,31)
InChIKeyGZQLCHVPTZLZDM-UHFFFAOYSA-N
XLogP3.80
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.58
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylphenyl)sulfonylamino]-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-[(4-acetylphenyl)sulfonylamino]-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide (CID 24982861) is 4-[(4-acetylphenyl)sulfonylamino]-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-[(4-acetylphenyl)sulfonylamino]-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-[(4-acetylphenyl)sulfonylamino]-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide is CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 4-[(4-acetylphenyl)sulfonylamino]-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide?
The InChIKey is GZQLCHVPTZLZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O6S/c1-4-29(17-25(31)27-21-11-13-23(35-3)14-12-21)26(32)20-5-9-22(10-6-20)28-36(33,34)24-15-7-19(8-16-24)18(2)30/h5-16,28H,4,17H2,1-3H3,(H,27,31).
What are the key properties of 4-[(4-acetylphenyl)sulfonylamino]-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide?
4-[(4-acetylphenyl)sulfonylamino]-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide has a molecular weight of 509.58 g/mol, XLogP of 3.80, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylphenyl)sulfonylamino]-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 24982861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).