3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide

C20H21N3O4S — CID 4059652

IUPAC3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide
SMILESCC(c1ccco1)N(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccn1
InChIInChI=1S/C20H21N3O4S/c1-15(18-10-7-13-27-18)23(19-11-4-5-12-21-19)20(24)16-8-6-9-17(14-16)28(25,26)22(2)3/h4-15H,1-3H3
InChIKeyBIZLQPTVZAFNEY-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.33
Rot. Bonds6

About 3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide

3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide (PubChem CID 4059652) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide
PubChem CID4059652
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide
SMILESCC(c1ccco1)N(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccn1
InChIInChI=1S/C20H21N3O4S/c1-15(18-10-7-13-27-18)23(19-11-4-5-12-21-19)20(24)16-8-6-9-17(14-16)28(25,26)22(2)3/h4-15H,1-3H3
InChIKeyBIZLQPTVZAFNEY-UHFFFAOYSA-N
XLogP3.33
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

MS 28
CID 195216
N-[1-(furan-2-yl)ethyl]-N-pyridin-2-yladamantane-1-carboxamide
CID 2999743
Furan-2-carboxylic acid (1-phenethyl-piperidin-4-yl)-pyridin-2-yl-amide
CID 10339454
2-(furan-2-yl)-3-(4-methylpyridin-2-yl)quinazolin-4(3H)-one
CID 645426
N-Benzyl-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N'-pyridin-2-yl-succinamide
CID 648888
N-[(1,1-Dimethyl-propylcarbamoyl)-(4-fluoro-phenyl)-methyl]-N-furan-2-ylmethyl-N'-pyridin-2-yl-succinamide
CID 651822
2-(furan-2-yl)-3-(3-methylpyridin-2-yl)quinazolin-4(3H)-one
CID 829489
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
N-[1-(furan-2-yl)ethyl]-3,5,7-trimethyl-N-pyridin-2-yladamantane-1-carboxamide
CID 3580479
3,5-dichloro-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide
CID 3680619

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide (CID 4059652) is 3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide is CC(c1ccco1)N(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccn1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide?
The InChIKey is BIZLQPTVZAFNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-15(18-10-7-13-27-18)23(19-11-4-5-12-21-19)20(24)16-8-6-9-17(14-16)28(25,26)22(2)3/h4-15H,1-3H3.
What are the key properties of 3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide?
3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide has a molecular weight of 399.47 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 4059652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).