4-(furan-2-ylmethylsulfamoyl)-N-(3-methyl-2-pyridinyl)benzamide

C18H17N3O4S — CID 18107077

IUPAC4-(furan-2-ylmethylsulfamoyl)-N-(3-methyl-2-pyridinyl)benzamide
SMILESCc1cccnc1NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H17N3O4S/c1-13-4-2-10-19-17(13)21-18(22)14-6-8-16(9-7-14)26(23,24)20-12-15-5-3-11-25-15/h2-11,20H,12H2,1H3,(H,19,21,22)
InChIKeyAKFIAUXOACIXKJ-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.71
Rot. Bonds6

About 4-(furan-2-ylmethylsulfamoyl)-N-(3-methyl-2-pyridinyl)benzamide

4-(furan-2-ylmethylsulfamoyl)-N-(3-methyl-2-pyridinyl)benzamide (PubChem CID 18107077) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfamoyl)-N-(3-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfamoyl)-N-(3-methyl-2-pyridinyl)benzamide
PubChem CID18107077
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name4-(furan-2-ylmethylsulfamoyl)-N-(3-methyl-2-pyridinyl)benzamide
SMILESCc1cccnc1NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H17N3O4S/c1-13-4-2-10-19-17(13)21-18(22)14-6-8-16(9-7-14)26(23,24)20-12-15-5-3-11-25-15/h2-11,20H,12H2,1H3,(H,19,21,22)
InChIKeyAKFIAUXOACIXKJ-UHFFFAOYSA-N
XLogP2.71
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-Benzyl-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N'-pyridin-2-yl-succinamide
CID 648888
N-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-N'-pyridin-2-yl-N-m-tolyl-succinamide
CID 652502
N-(4-Fluoro-benzyl)-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N'-pyridin-2-yl-succinamide
CID 653732
N-Furan-2-ylmethyl-N'-(4-methyl-pyridin-2-yl)-N-(phenethylcarbamoyl-methyl)-succinamide
CID 655291
[2-[(3,5-Dichloro-4-methylpyridin-2-yl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2078980
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2533346
N-[1-(furan-2-yl)ethyl]-4-methyl-N-pyridin-2-ylbenzamide
CID 2999707
N'-[2-(benzylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)butanediamide
CID 3208427
[1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3365953
3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide
CID 4059652
N-(furan-2-ylmethyl)-4-[(E)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide
CID 9676223
4-(furan-2-ylmethylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 18106954

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-(3-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-(3-methyl-2-pyridinyl)benzamide (CID 18107077) is 4-(furan-2-ylmethylsulfamoyl)-N-(3-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-(furan-2-ylmethylsulfamoyl)-N-(3-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-(furan-2-ylmethylsulfamoyl)-N-(3-methyl-2-pyridinyl)benzamide is Cc1cccnc1NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-(furan-2-ylmethylsulfamoyl)-N-(3-methyl-2-pyridinyl)benzamide?
The InChIKey is AKFIAUXOACIXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-13-4-2-10-19-17(13)21-18(22)14-6-8-16(9-7-14)26(23,24)20-12-15-5-3-11-25-15/h2-11,20H,12H2,1H3,(H,19,21,22).
What are the key properties of 4-(furan-2-ylmethylsulfamoyl)-N-(3-methyl-2-pyridinyl)benzamide?
4-(furan-2-ylmethylsulfamoyl)-N-(3-methyl-2-pyridinyl)benzamide has a molecular weight of 371.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfamoyl)-N-(3-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 18107077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).