2-[(3-methoxyphenyl)methyl]-N-[5-(methylsulfamoyl)-2-pyridinyl]pyrrolidine-1-carboxamide

C19H24N4O4S — CID 139008637

IUPAC2-[(3-methoxyphenyl)methyl]-N-[5-(methylsulfamoyl)-2-pyridinyl]pyrrolidine-1-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)N2CCCC2Cc2cccc(OC)c2)nc1
InChIInChI=1S/C19H24N4O4S/c1-20-28(25,26)17-8-9-18(21-13-17)22-19(24)23-10-4-6-15(23)11-14-5-3-7-16(12-14)27-2/h3,5,7-9,12-13,15,20H,4,6,10-11H2,1-2H3,(H,21,22,24)
InChIKeySTAGJMWKENRKEM-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.24
Rot. Bonds6

About 2-[(3-methoxyphenyl)methyl]-N-[5-(methylsulfamoyl)-2-pyridinyl]pyrrolidine-1-carboxamide

2-[(3-methoxyphenyl)methyl]-N-[5-(methylsulfamoyl)-2-pyridinyl]pyrrolidine-1-carboxamide (PubChem CID 139008637) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-N-[5-(methylsulfamoyl)-2-pyridinyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-N-[5-(methylsulfamoyl)-2-pyridinyl]pyrrolidine-1-carboxamide
PubChem CID139008637
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name2-[(3-methoxyphenyl)methyl]-N-[5-(methylsulfamoyl)-2-pyridinyl]pyrrolidine-1-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)N2CCCC2Cc2cccc(OC)c2)nc1
InChIInChI=1S/C19H24N4O4S/c1-20-28(25,26)17-8-9-18(21-13-17)22-19(24)23-10-4-6-15(23)11-14-5-3-7-16(12-14)27-2/h3,5,7-9,12-13,15,20H,4,6,10-11H2,1-2H3,(H,21,22,24)
InChIKeySTAGJMWKENRKEM-UHFFFAOYSA-N
XLogP2.24
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 96998424
[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 55898287
4-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 55955903
(3aR,7aR)-N-[5-(methylsulfamoyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 122150241
N-[4-[[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
CID 55897771
N-[3-acetamido-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 55955262
2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022
[(2R)-2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-(1-oxidopyridin-1-ium-2-yl)methanone
CID 97313584
N-cyclopentyl-2-methoxy-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]benzenesulfonamide
CID 55898155
(2R)-N-cyclopropyl-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbothioamide
CID 97000744
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 66262478
4-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 55898300

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-N-[5-(methylsulfamoyl)-2-pyridinyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-N-[5-(methylsulfamoyl)-2-pyridinyl]pyrrolidine-1-carboxamide (CID 139008637) is 2-[(3-methoxyphenyl)methyl]-N-[5-(methylsulfamoyl)-2-pyridinyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-N-[5-(methylsulfamoyl)-2-pyridinyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-N-[5-(methylsulfamoyl)-2-pyridinyl]pyrrolidine-1-carboxamide is CNS(=O)(=O)c1ccc(NC(=O)N2CCCC2Cc2cccc(OC)c2)nc1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-N-[5-(methylsulfamoyl)-2-pyridinyl]pyrrolidine-1-carboxamide?
The InChIKey is STAGJMWKENRKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-20-28(25,26)17-8-9-18(21-13-17)22-19(24)23-10-4-6-15(23)11-14-5-3-7-16(12-14)27-2/h3,5,7-9,12-13,15,20H,4,6,10-11H2,1-2H3,(H,21,22,24).
What are the key properties of 2-[(3-methoxyphenyl)methyl]-N-[5-(methylsulfamoyl)-2-pyridinyl]pyrrolidine-1-carboxamide?
2-[(3-methoxyphenyl)methyl]-N-[5-(methylsulfamoyl)-2-pyridinyl]pyrrolidine-1-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-N-[5-(methylsulfamoyl)-2-pyridinyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 139008637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).