N-(furan-2-ylmethyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

C20H20N2O4S — CID 2921998

IUPACN-(furan-2-ylmethyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H20N2O4S/c23-20(21-14-17-7-4-12-26-17)19-8-3-11-22(19)27(24,25)18-10-9-15-5-1-2-6-16(15)13-18/h1-2,4-7,9-10,12-13,19H,3,8,11,14H2,(H,21,23)
InChIKeyZVRUOOMIMYVPQU-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.90
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

N-(furan-2-ylmethyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 2921998) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID2921998
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC NameN-(furan-2-ylmethyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H20N2O4S/c23-20(21-14-17-7-4-12-26-17)19-8-3-11-22(19)27(24,25)18-10-9-15-5-1-2-6-16(15)13-18/h1-2,4-7,9-10,12-13,19H,3,8,11,14H2,(H,21,23)
InChIKeyZVRUOOMIMYVPQU-UHFFFAOYSA-N
XLogP2.90
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CID 2905675
N-(furan-2-ylmethyl)naphthalene-2-sulfonamide
CID 683661
N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
CID 146171280
N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine
CID 146171282
2-(4-Fluoro-benzenesulfonylamino)-N-furan-2-ylmethyl-N-(phenethylcarbamoyl-methyl)-acetamide
CID 653223
4-Dipropylsulfamoyl-N-furan-2-ylmethyl-benzamide
CID 1128083
1-[(3,4-Dimethylphenyl)sulfonyl]-4-(2-furylmethyl)piperazine
CID 17376577
N-Furan-2-ylmethyl-4-(4-methyl-piperidine-1-sulfonyl)-benzamide
CID 1044182
N-Furan-2-ylmethyl-4-[(tetrahydro-furan-2-ylmethyl)-sulfamoyl]-benzamide
CID 645494
N-(2-furylmethyl)-4-({[(4-methylphenyl)sulfonyl]amino}methyl)cyclohexanecarboxamide
CID 3239602
N-(2-(7-(N-methylsulfamoyl)naphthalen-1-yl)ethyl)furan-2-carboxamide
CID 18175032
1-[(3,4-Dimethylphenyl)sulfonyl]-4-(2-furoyl)piperazine
CID 712595

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 2921998) is N-(furan-2-ylmethyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is O=C(NCc1ccco1)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is ZVRUOOMIMYVPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c23-20(21-14-17-7-4-12-26-17)19-8-3-11-22(19)27(24,25)18-10-9-15-5-1-2-6-16(15)13-18/h1-2,4-7,9-10,12-13,19H,3,8,11,14H2,(H,21,23).
What are the key properties of N-(furan-2-ylmethyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
N-(furan-2-ylmethyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2921998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).