3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide

C25H27N3O6S — CID 25162526

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)CC(=O)Nc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C25H27N3O6S/c1-4-34-22-12-14-23(15-13-22)35(31,32)27-20-7-5-6-18(16-20)25(30)28(2)17-24(29)26-19-8-10-21(33-3)11-9-19/h5-16,27H,4,17H2,1-3H3,(H,26,29)
InChIKeyLMHUNAKJOGFQNU-UHFFFAOYSA-N
MW497.57 g/mol
LogP3.61
Rot. Bonds10

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 25162526) has the molecular formula C25H27N3O6S and a molecular weight of 497.57 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID25162526
Molecular FormulaC25H27N3O6S
Molecular Weight497.57 g/mol
Exact Mass497.16
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)CC(=O)Nc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C25H27N3O6S/c1-4-34-22-12-14-23(15-13-22)35(31,32)27-20-7-5-6-18(16-20)25(30)28(2)17-24(29)26-19-8-10-21(33-3)11-9-19/h5-16,27H,4,17H2,1-3H3,(H,26,29)
InChIKeyLMHUNAKJOGFQNU-UHFFFAOYSA-N
XLogP3.61
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide (CID 25162526) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide is CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)CC(=O)Nc3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is LMHUNAKJOGFQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6S/c1-4-34-22-12-14-23(15-13-22)35(31,32)27-20-7-5-6-18(16-20)25(30)28(2)17-24(29)26-19-8-10-21(33-3)11-9-19/h5-16,27H,4,17H2,1-3H3,(H,26,29).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 497.57 g/mol, XLogP of 3.61, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 25162526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).