N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C20H24N2O4S — CID 652545

IUPACN-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-15-5-11-18(12-6-15)27(24,25)22-13-3-4-19(22)20(23)21-14-16-7-9-17(26-2)10-8-16/h5-12,19H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyIHZTXSZKGWMVSB-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.47
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 652545) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID652545
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-15-5-11-18(12-6-15)27(24,25)22-13-3-4-19(22)20(23)21-14-16-7-9-17(26-2)10-8-16/h5-12,19H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyIHZTXSZKGWMVSB-UHFFFAOYSA-N
XLogP2.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 652545) is N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is COc1ccc(CNC(=O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is IHZTXSZKGWMVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-5-11-18(12-6-15)27(24,25)22-13-3-4-19(22)20(23)21-14-16-7-9-17(26-2)10-8-16/h5-12,19H,3-4,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 652545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).