N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]furan-2-carboxamide

C17H20N2O4S — CID 16829876

IUPACN-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]furan-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2CNC(=O)c2ccco2)cc1
InChIInChI=1S/C17H20N2O4S/c1-13-6-8-15(9-7-13)24(21,22)19-10-2-4-14(19)12-18-17(20)16-5-3-11-23-16/h3,5-9,11,14H,2,4,10,12H2,1H3,(H,18,20)
InChIKeySEJFUNYTUPISNB-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.17
Rot. Bonds5

About N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]furan-2-carboxamide

N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]furan-2-carboxamide (PubChem CID 16829876) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]furan-2-carboxamide
PubChem CID16829876
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]furan-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2CNC(=O)c2ccco2)cc1
InChIInChI=1S/C17H20N2O4S/c1-13-6-8-15(9-7-13)24(21,22)19-10-2-4-14(19)12-18-17(20)16-5-3-11-23-16/h3,5-9,11,14H,2,4,10,12H2,1H3,(H,18,20)
InChIKeySEJFUNYTUPISNB-UHFFFAOYSA-N
XLogP2.17
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CID 2905675
Furan-2-carboxamide deriv., 16
CID 44236902
(4-Benzenesulfonyl-piperazin-1-yl)-furan-2-yl-methanone
CID 719657
N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
CID 146171280
2-(4-Fluoro-benzenesulfonylamino)-N-furan-2-ylmethyl-N-(phenethylcarbamoyl-methyl)-acetamide
CID 653223
4-Dipropylsulfamoyl-N-furan-2-ylmethyl-benzamide
CID 1128083
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2116217
[4-(4-Fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 2238809
[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2355620
N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 4561126
N-[1-(cyclohexylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 4883868
N-(2-{[2-(4-methylphenoxy)acetyl]amino}ethyl)-2-furamide
CID 6490915

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]furan-2-carboxamide (CID 16829876) is N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]furan-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC2CNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]furan-2-carboxamide?
The InChIKey is SEJFUNYTUPISNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13-6-8-15(9-7-13)24(21,22)19-10-2-4-14(19)12-18-17(20)16-5-3-11-23-16/h3,5-9,11,14H,2,4,10,12H2,1H3,(H,18,20).
What are the key properties of N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]furan-2-carboxamide?
N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]furan-2-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 16829876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).