2-methyl-N-phenyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide

C16H18N2O4S — CID 2810593

IUPAC2-methyl-N-phenyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide
SMILESCc1oc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C16H18N2O4S/c1-12-14(16(19)17-13-7-3-2-4-8-13)11-15(22-12)23(20,21)18-9-5-6-10-18/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,17,19)
InChIKeyCVNQADZCLVYPLE-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.62
Rot. Bonds4

About 2-methyl-N-phenyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide

2-methyl-N-phenyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide (PubChem CID 2810593) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-methyl-N-phenyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-phenyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide
PubChem CID2810593
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-methyl-N-phenyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide
SMILESCc1oc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C16H18N2O4S/c1-12-14(16(19)17-13-7-3-2-4-8-13)11-15(22-12)23(20,21)18-9-5-6-10-18/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,17,19)
InChIKeyCVNQADZCLVYPLE-UHFFFAOYSA-N
XLogP2.62
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-Dimethyl-3-furancarboxanilide
CID 34281
N-(4-fluorophenyl)-2-methyl-5-(morpholinosulfonyl)-3-furamide
CID 2810589
2-methyl-N-(4-sulfamoylphenyl)furan-3-carboxamide
CID 896124
5-[(dimethylamino)sulfonyl]-2-methyl-N-phenyl-3-furamide
CID 2809675
N-(4-chlorophenyl)-5-[(dimethylamino)sulfonyl]-2-methyl-3-furamide
CID 2810585
N-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 2354389
N-{4-[(acetylamino)sulfonyl]phenyl}-3-(5-methyl-2-furyl)acrylamide
CID 896697
2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-3-carboxamide
CID 1245284
[2-(4-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2434535
N-[3-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)propyl]-2,5-dimethylfuran-3-carboxamide
CID 52946006
N-(4-fluorophenyl)-2-methyl-5-(1-pyrrolidinylsulfonyl)-3-furamide
CID 2810594
2,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]furan-3-carboxamide
CID 2443198

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide?
The IUPAC name of 2-methyl-N-phenyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide (CID 2810593) is 2-methyl-N-phenyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide.
What is the SMILES notation for 2-methyl-N-phenyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide?
The canonical SMILES for 2-methyl-N-phenyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide is Cc1oc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-methyl-N-phenyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide?
The InChIKey is CVNQADZCLVYPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-12-14(16(19)17-13-7-3-2-4-8-13)11-15(22-12)23(20,21)18-9-5-6-10-18/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,17,19).
What are the key properties of 2-methyl-N-phenyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide?
2-methyl-N-phenyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxamide is sourced from PubChem (CID 2810593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).