2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-3-carboxamide

C16H18N2O4S — CID 1245284

IUPAC2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H18N2O4S/c1-12-15(8-11-22-12)16(19)17-13-4-6-14(7-5-13)23(20,21)18-9-2-3-10-18/h4-8,11H,2-3,9-10H2,1H3,(H,17,19)
InChIKeyJOBIPKPQTXZKDQ-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.62
Rot. Bonds4

About 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-3-carboxamide

2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-3-carboxamide (PubChem CID 1245284) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-3-carboxamide
PubChem CID1245284
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H18N2O4S/c1-12-15(8-11-22-12)16(19)17-13-4-6-14(7-5-13)23(20,21)18-9-2-3-10-18/h4-8,11H,2-3,9-10H2,1H3,(H,17,19)
InChIKeyJOBIPKPQTXZKDQ-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

Fenfuram
CID 90590
N-(4-fluorophenyl)-2-methyl-5-(morpholinosulfonyl)-3-furamide
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3-Furan-2-yl-N-(4-sulfamoylphenyl)acrylamide
CID 768666
(2E)-2-cyano-3-(2-furyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 788171
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,N'-1,2-phenylenebis(2-methyl-3-furamide)
CID 897237
N-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 2354389
N-{4-[(Furan-2-ylmethyl)-sulfamoyl]-phenyl}-propionamide
CID 860463
N-{4-[(Furan-2-ylmethyl)-sulfamoyl]-phenyl}-3-methyl-butyramide
CID 860465
N-{4-[(acetylamino)sulfonyl]phenyl}-3-(5-methyl-2-furyl)acrylamide
CID 896697

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-3-carboxamide (CID 1245284) is 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-3-carboxamide is Cc1occc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-3-carboxamide?
The InChIKey is JOBIPKPQTXZKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-12-15(8-11-22-12)16(19)17-13-4-6-14(7-5-13)23(20,21)18-9-2-3-10-18/h4-8,11H,2-3,9-10H2,1H3,(H,17,19).
What are the key properties of 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-3-carboxamide?
2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-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-(4-pyrrolidin-1-ylsulfonylphenyl)furan-3-carboxamide is sourced from PubChem (CID 1245284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).