N-(4-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide

C20H22N2O5S — CID 5195263

IUPACN-(4-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C20H22N2O5S/c1-14(23)15-5-7-16(8-6-15)21-20(24)19-4-3-13-22(19)28(25,26)18-11-9-17(27-2)10-12-18/h5-12,19H,3-4,13H2,1-2H3,(H,21,24)
InChIKeyFCGKEYBYBJZDMP-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.69
Rot. Bonds6

About N-(4-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide

N-(4-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 5195263) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID5195263
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC NameN-(4-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C20H22N2O5S/c1-14(23)15-5-7-16(8-6-15)21-20(24)19-4-3-13-22(19)28(25,26)18-11-9-17(27-2)10-12-18/h5-12,19H,3-4,13H2,1-2H3,(H,21,24)
InChIKeyFCGKEYBYBJZDMP-UHFFFAOYSA-N
XLogP2.69
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide (CID 5195263) is N-(4-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is FCGKEYBYBJZDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-14(23)15-5-7-16(8-6-15)21-20(24)19-4-3-13-22(19)28(25,26)18-11-9-17(27-2)10-12-18/h5-12,19H,3-4,13H2,1-2H3,(H,21,24).
What are the key properties of N-(4-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
N-(4-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 5195263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).