[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-benzamidobenzoate

C26H24N2O6S — CID 30115703

IUPAC[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-benzamidobenzoate
SMILESO=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C26H24N2O6S/c29-24(19-12-14-21(15-13-19)35(32,33)28-16-6-7-17-28)18-34-26(31)22-10-4-5-11-23(22)27-25(30)20-8-2-1-3-9-20/h1-5,8-15H,6-7,16-18H2,(H,27,30)
InChIKeyPGKJCXFNXATPMH-UHFFFAOYSA-N
MW492.55 g/mol
LogP3.76
Rot. Bonds8

About [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-benzamidobenzoate

[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-benzamidobenzoate (PubChem CID 30115703) has the molecular formula C26H24N2O6S and a molecular weight of 492.55 g/mol. Its IUPAC name is [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-benzamidobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-benzamidobenzoate
PubChem CID30115703
Molecular FormulaC26H24N2O6S
Molecular Weight492.55 g/mol
Exact Mass492.14
IUPAC Name[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-benzamidobenzoate
SMILESO=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C26H24N2O6S/c29-24(19-12-14-21(15-13-19)35(32,33)28-16-6-7-17-28)18-34-26(31)22-10-4-5-11-23(22)27-25(30)20-8-2-1-3-9-20/h1-5,8-15H,6-7,16-18H2,(H,27,30)
InChIKeyPGKJCXFNXATPMH-UHFFFAOYSA-N
XLogP3.76
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 29169317
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,3-dichlorobenzoate
CID 2645596
4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
CID 4313341
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 42967136
N-cyclohexyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 100680992
[2-(4-nitrophenyl)-2-oxoethyl] 2-[(4-nitrobenzoyl)amino]benzoate
CID 23934195
[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate
CID 7868503
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 1-oxidopyridin-1-ium-2-carboxylate
CID 7774413
N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 7550938
N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 22831307
2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 4094310
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 1-methylpyrrole-2-carboxylate
CID 7554263

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-benzamidobenzoate?
The IUPAC name of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-benzamidobenzoate (CID 30115703) is [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-benzamidobenzoate.
What is the SMILES notation for [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-benzamidobenzoate?
The canonical SMILES for [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-benzamidobenzoate is O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-benzamidobenzoate?
The InChIKey is PGKJCXFNXATPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6S/c29-24(19-12-14-21(15-13-19)35(32,33)28-16-6-7-17-28)18-34-26(31)22-10-4-5-11-23(22)27-25(30)20-8-2-1-3-9-20/h1-5,8-15H,6-7,16-18H2,(H,27,30).
What are the key properties of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-benzamidobenzoate?
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-benzamidobenzoate has a molecular weight of 492.55 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-benzamidobenzoate is sourced from PubChem (CID 30115703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).