N-(furan-2-ylmethyl)-4-[methyl(methylsulfonyl)amino]benzamide

C14H16N2O4S — CID 975983

IUPACN-(furan-2-ylmethyl)-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccc(C(=O)NCc2ccco2)cc1)S(C)(=O)=O
InChIInChI=1S/C14H16N2O4S/c1-16(21(2,18)19)12-7-5-11(6-8-12)14(17)15-10-13-4-3-9-20-13/h3-9H,10H2,1-2H3,(H,15,17)
InChIKeyZJDJRKWOKOJFCT-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.61
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-[methyl(methylsulfonyl)amino]benzamide

N-(furan-2-ylmethyl)-4-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 975983) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[methyl(methylsulfonyl)amino]benzamide
PubChem CID975983
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN-(furan-2-ylmethyl)-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccc(C(=O)NCc2ccco2)cc1)S(C)(=O)=O
InChIInChI=1S/C14H16N2O4S/c1-16(21(2,18)19)12-7-5-11(6-8-12)14(17)15-10-13-4-3-9-20-13/h3-9H,10H2,1-2H3,(H,15,17)
InChIKeyZJDJRKWOKOJFCT-UHFFFAOYSA-N
XLogP1.61
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[methyl(methylsulfonyl)amino]benzamide (CID 975983) is N-(furan-2-ylmethyl)-4-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[methyl(methylsulfonyl)amino]benzamide is CN(c1ccc(C(=O)NCc2ccco2)cc1)S(C)(=O)=O.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is ZJDJRKWOKOJFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-16(21(2,18)19)12-7-5-11(6-8-12)14(17)15-10-13-4-3-9-20-13/h3-9H,10H2,1-2H3,(H,15,17).
What are the key properties of N-(furan-2-ylmethyl)-4-[methyl(methylsulfonyl)amino]benzamide?
N-(furan-2-ylmethyl)-4-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 308.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 975983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).