5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide

C21H28N2O4S — CID 3240515

IUPAC5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
SMILESCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCN2CCCCC2C)o1
InChIInChI=1S/C21H28N2O4S/c1-16-7-3-4-9-20(16)28(25,26)15-18-10-11-19(27-18)21(24)22-12-14-23-13-6-5-8-17(23)2/h3-4,7,9-11,17H,5-6,8,12-15H2,1-2H3,(H,22,24)
InChIKeyJAXWFAJYCDORSG-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.17
Rot. Bonds7

About 5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide

5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide (PubChem CID 3240515) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
PubChem CID3240515
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
SMILESCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCN2CCCCC2C)o1
InChIInChI=1S/C21H28N2O4S/c1-16-7-3-4-9-20(16)28(25,26)15-18-10-11-19(27-18)21(24)22-12-14-23-13-6-5-8-17(23)2/h3-4,7,9-11,17H,5-6,8,12-15H2,1-2H3,(H,22,24)
InChIKeyJAXWFAJYCDORSG-UHFFFAOYSA-N
XLogP3.17
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]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-[bis(2-methylpropyl)amino]ethyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859676
5-[(2-cyanophenoxy)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 55873591
[5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 20859632
4-(2-methylphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
CID 94676201
5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
CID 5309150
2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 80710568
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
5-[(2-methylphenyl)sulfonylmethyl]-N-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]furan-2-carboxamide
CID 3355844
5-bromo-N-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]furan-2-carboxamide
CID 9472859
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide
CID 94115261
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55715342
5-[[(3-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 3916484

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide (CID 3240515) is 5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide is Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCN2CCCCC2C)o1.
What is the InChIKey of 5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide?
The InChIKey is JAXWFAJYCDORSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-16-7-3-4-9-20(16)28(25,26)15-18-10-11-19(27-18)21(24)22-12-14-23-13-6-5-8-17(23)2/h3-4,7,9-11,17H,5-6,8,12-15H2,1-2H3,(H,22,24).
What are the key properties of 5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide?
5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide has a molecular weight of 404.53 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 3240515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).