2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C24H24N4O6S — CID 2361772

IUPAC2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1
InChIInChI=1S/C24H24N4O6S/c1-3-33-18-9-11-20(12-10-18)35(31,32)28(2)17-5-7-19(8-6-17)34-15-23(29)25-16-4-13-21-22(14-16)27-24(30)26-21/h4-14H,3,15H2,1-2H3,(H,25,29)(H2,26,27,30)
InChIKeyWYKJXJZRUBDFMM-UHFFFAOYSA-N
MW496.55 g/mol
LogP3.10
Rot. Bonds9

About 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 2361772) has the molecular formula C24H24N4O6S and a molecular weight of 496.55 g/mol. Its IUPAC name is 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID2361772
Molecular FormulaC24H24N4O6S
Molecular Weight496.55 g/mol
Exact Mass496.14
IUPAC Name2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1
InChIInChI=1S/C24H24N4O6S/c1-3-33-18-9-11-20(12-10-18)35(31,32)28(2)17-5-7-19(8-6-17)34-15-23(29)25-16-4-13-21-22(14-16)27-24(30)26-21/h4-14H,3,15H2,1-2H3,(H,25,29)(H2,26,27,30)
InChIKeyWYKJXJZRUBDFMM-UHFFFAOYSA-N
XLogP3.10
TPSA133.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 2361772) is 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is WYKJXJZRUBDFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O6S/c1-3-33-18-9-11-20(12-10-18)35(31,32)28(2)17-5-7-19(8-6-17)34-15-23(29)25-16-4-13-21-22(14-16)27-24(30)26-21/h4-14H,3,15H2,1-2H3,(H,25,29)(H2,26,27,30).
What are the key properties of 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 496.55 g/mol, XLogP of 3.10, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 2361772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).