1-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C25H28N4O5S — CID 55601232

IUPAC1-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCC(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C25H28N4O5S/c1-18-6-7-22(35(32,33)28-17-21-5-3-13-34-21)14-23(18)25(31)29-11-8-20(9-12-29)24(30)27-16-19-4-2-10-26-15-19/h2-7,10,13-15,20,28H,8-9,11-12,16-17H2,1H3,(H,27,30)
InChIKeyIIJJGRVCPTWYCJ-UHFFFAOYSA-N
MW496.59 g/mol
LogP2.63
Rot. Bonds8

About 1-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 55601232) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is 1-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID55601232
Molecular FormulaC25H28N4O5S
Molecular Weight496.59 g/mol
Exact Mass496.18
IUPAC Name1-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCC(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C25H28N4O5S/c1-18-6-7-22(35(32,33)28-17-21-5-3-13-34-21)14-23(18)25(31)29-11-8-20(9-12-29)24(30)27-16-19-4-2-10-26-15-19/h2-7,10,13-15,20,28H,8-9,11-12,16-17H2,1H3,(H,27,30)
InChIKeyIIJJGRVCPTWYCJ-UHFFFAOYSA-N
XLogP2.63
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669
4-(furan-2-ylmethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 24538489
3-(3-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 55654720
1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 796244
1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3245670
3-(4-aminopiperidine-1-carbonyl)-N-benzyl-4-methylbenzenesulfonamide;hydrochloride
CID 119375100
1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 1077698
1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55930537
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
N-(furan-2-ylmethyl)-1-(2-hydroxybenzoyl)piperidine-4-carboxamide
CID 51102513
N-benzyl-4-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 4808018
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 78863657

Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 55601232) is 1-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCC(C(=O)NCc2cccnc2)CC1.
What is the InChIKey of 1-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is IIJJGRVCPTWYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S/c1-18-6-7-22(35(32,33)28-17-21-5-3-13-34-21)14-23(18)25(31)29-11-8-20(9-12-29)24(30)27-16-19-4-2-10-26-15-19/h2-7,10,13-15,20,28H,8-9,11-12,16-17H2,1H3,(H,27,30).
What are the key properties of 1-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 55601232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).