N-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide

C15H17NO4S — CID 27739527

IUPACN-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N(C)Cc1ccco1
InChIInChI=1S/C15H17NO4S/c1-11-6-7-13(21(3,18)19)9-14(11)15(17)16(2)10-12-5-4-8-20-12/h4-9H,10H2,1-3H3
InChIKeyVYHGBJFOYNVKKJ-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.26
Rot. Bonds4

About N-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide

N-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide (PubChem CID 27739527) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide
PubChem CID27739527
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC NameN-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N(C)Cc1ccco1
InChIInChI=1S/C15H17NO4S/c1-11-6-7-13(21(3,18)19)9-14(11)15(17)16(2)10-12-5-4-8-20-12/h4-9H,10H2,1-3H3
InChIKeyVYHGBJFOYNVKKJ-UHFFFAOYSA-N
XLogP2.26
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 35155749
N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-5-methylsulfonylbenzamide
CID 27861266
N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethyl-5-methylsulfonylbenzamide
CID 55360576
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 42983952
methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate
CID 95970862
5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55550260
N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-methyl-5-methylsulfonylbenzamide
CID 39948595
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 51145074
2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide
CID 62072448
4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 43526535
5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methoxy-N-methylbenzamide
CID 18109821
3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 4824191

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide?
The IUPAC name of N-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide (CID 27739527) is N-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide?
The InChIKey is VYHGBJFOYNVKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-11-6-7-13(21(3,18)19)9-14(11)15(17)16(2)10-12-5-4-8-20-12/h4-9H,10H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide?
N-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide has a molecular weight of 307.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 27739527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).