N-(4-methoxyphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide

C17H20N2O5S — CID 2810591

IUPACN-(4-methoxyphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)oc2C)cc1
InChIInChI=1S/C17H20N2O5S/c1-12-15(17(20)18-13-5-7-14(23-2)8-6-13)11-16(24-12)25(21,22)19-9-3-4-10-19/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyCPRZIOUALOFNOU-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.63
Rot. Bonds5

About N-(4-methoxyphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide

N-(4-methoxyphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide (PubChem CID 2810591) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide
PubChem CID2810591
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-(4-methoxyphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)oc2C)cc1
InChIInChI=1S/C17H20N2O5S/c1-12-15(17(20)18-13-5-7-14(23-2)8-6-13)11-16(24-12)25(21,22)19-9-3-4-10-19/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyCPRZIOUALOFNOU-UHFFFAOYSA-N
XLogP2.63
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide (CID 2810591) is N-(4-methoxyphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide is COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)oc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide?
The InChIKey is CPRZIOUALOFNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-12-15(17(20)18-13-5-7-14(23-2)8-6-13)11-16(24-12)25(21,22)19-9-3-4-10-19/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-(4-methoxyphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide?
N-(4-methoxyphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide is sourced from PubChem (CID 2810591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).