N-methoxy-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide

C20H24N2O5S — CID 46699988

IUPACN-methoxy-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
SMILESCOc1cccc(C2CCCN2C(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)c1
InChIInChI=1S/C20H24N2O5S/c1-21(27-3)28(24,25)18-11-9-15(10-12-18)20(23)22-13-5-8-19(22)16-6-4-7-17(14-16)26-2/h4,6-7,9-12,14,19H,5,8,13H2,1-3H3
InChIKeyPVIHHCZBTWLAMU-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.85
Rot. Bonds6

About N-methoxy-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide

N-methoxy-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide (PubChem CID 46699988) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-methoxy-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-methoxy-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
PubChem CID46699988
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-methoxy-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
SMILESCOc1cccc(C2CCCN2C(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)c1
InChIInChI=1S/C20H24N2O5S/c1-21(27-3)28(24,25)18-11-9-15(10-12-18)20(23)22-13-5-8-19(22)16-6-4-7-17(14-16)26-2/h4,6-7,9-12,14,19H,5,8,13H2,1-3H3
InChIKeyPVIHHCZBTWLAMU-UHFFFAOYSA-N
XLogP2.85
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzoate
CID 51318465
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46700033
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 42202447
N-benzyl-3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 55497289
(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone
CID 51648656
(3-aminothiophen-2-yl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 61111484
furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 60716835
(2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51929591
methyl 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 51320524

Frequently Asked Questions

What is the IUPAC name of N-methoxy-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-methoxy-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide (CID 46699988) is N-methoxy-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-methoxy-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-methoxy-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide is COc1cccc(C2CCCN2C(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)c1.
What is the InChIKey of N-methoxy-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide?
The InChIKey is PVIHHCZBTWLAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-21(27-3)28(24,25)18-11-9-15(10-12-18)20(23)22-13-5-8-19(22)16-6-4-7-17(14-16)26-2/h4,6-7,9-12,14,19H,5,8,13H2,1-3H3.
What are the key properties of N-methoxy-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide?
N-methoxy-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide has a molecular weight of 404.49 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 46699988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).