N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide

C18H22N2O4S — CID 108559603

IUPACN-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(NC(=O)c3ccco3)CC2)c1
InChIInChI=1S/C18H22N2O4S/c1-13-5-6-14(2)17(12-13)25(22,23)20-9-7-15(8-10-20)19-18(21)16-4-3-11-24-16/h3-6,11-12,15H,7-10H2,1-2H3,(H,19,21)
InChIKeyJWRFTGNRIBVJIE-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.48
Rot. Bonds4

About N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide

N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide (PubChem CID 108559603) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
PubChem CID108559603
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(NC(=O)c3ccco3)CC2)c1
InChIInChI=1S/C18H22N2O4S/c1-13-5-6-14(2)17(12-13)25(22,23)20-9-7-15(8-10-20)19-18(21)16-4-3-11-24-16/h3-6,11-12,15H,7-10H2,1-2H3,(H,19,21)
InChIKeyJWRFTGNRIBVJIE-UHFFFAOYSA-N
XLogP2.48
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]furan-2-carbohydrazide
CID 8694149
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide
CID 108562425
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide
CID 108562768
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 24793463
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
CID 108559576
1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980300
N-(1-methylsulfonylpyrrolidin-3-yl)furan-2-carboxamide
CID 110871255
1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 47090075
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide
CID 3592992
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561709
N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]furan-2-carboxamide
CID 75537873
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559242

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide (CID 108559603) is N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide is Cc1ccc(C)c(S(=O)(=O)N2CCC(NC(=O)c3ccco3)CC2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide?
The InChIKey is JWRFTGNRIBVJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13-5-6-14(2)17(12-13)25(22,23)20-9-7-15(8-10-20)19-18(21)16-4-3-11-24-16/h3-6,11-12,15H,7-10H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide?
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 108559603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).