N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide

C25H26N2O4S — CID 31527170

IUPACN-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C25H26N2O4S/c1-2-31-23-15-14-20(18-24(23)32(29,30)27-16-8-9-17-27)26-25(28)22-13-7-6-12-21(22)19-10-4-3-5-11-19/h3-7,10-15,18H,2,8-9,16-17H2,1H3,(H,26,28)
InChIKeyUXOIWIDQQDAWLY-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.79
Rot. Bonds7

About N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide

N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide (PubChem CID 31527170) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide
PubChem CID31527170
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC NameN-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C25H26N2O4S/c1-2-31-23-15-14-20(18-24(23)32(29,30)27-16-8-9-17-27)26-25(28)22-13-7-6-12-21(22)19-10-4-3-5-11-19/h3-7,10-15,18H,2,8-9,16-17H2,1H3,(H,26,28)
InChIKeyUXOIWIDQQDAWLY-UHFFFAOYSA-N
XLogP4.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26795556
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-ethylsulfanylbenzamide
CID 24624539
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 55517655
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 26189255
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34405095
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823616
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823541
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide
CID 24590368
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-fluoro-2-methylbenzamide
CID 33078976
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide
CID 26795599
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzo[f]quinoline-5-carboxamide
CID 55699628
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 26189226

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide?
The IUPAC name of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide (CID 31527170) is N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide.
What is the SMILES notation for N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide?
The canonical SMILES for N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide is CCOc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide?
The InChIKey is UXOIWIDQQDAWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-2-31-23-15-14-20(18-24(23)32(29,30)27-16-8-9-17-27)26-25(28)22-13-7-6-12-21(22)19-10-4-3-5-11-19/h3-7,10-15,18H,2,8-9,16-17H2,1H3,(H,26,28).
What are the key properties of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide?
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide has a molecular weight of 450.56 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide is sourced from PubChem (CID 31527170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).