N-(furan-2-ylmethyl)-3-methyl-4-[methyl(methylsulfonyl)amino]benzamide

C15H18N2O4S — CID 53278122

IUPACN-(furan-2-ylmethyl)-3-methyl-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCc1cc(C(=O)NCc2ccco2)ccc1N(C)S(C)(=O)=O
InChIInChI=1S/C15H18N2O4S/c1-11-9-12(6-7-14(11)17(2)22(3,19)20)15(18)16-10-13-5-4-8-21-13/h4-9H,10H2,1-3H3,(H,16,18)
InChIKeyDMMNNGUSXFGCHS-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.91
Rot. Bonds5

About N-(furan-2-ylmethyl)-3-methyl-4-[methyl(methylsulfonyl)amino]benzamide

N-(furan-2-ylmethyl)-3-methyl-4-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 53278122) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-methyl-4-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-methyl-4-[methyl(methylsulfonyl)amino]benzamide
PubChem CID53278122
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC NameN-(furan-2-ylmethyl)-3-methyl-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCc1cc(C(=O)NCc2ccco2)ccc1N(C)S(C)(=O)=O
InChIInChI=1S/C15H18N2O4S/c1-11-9-12(6-7-14(11)17(2)22(3,19)20)15(18)16-10-13-5-4-8-21-13/h4-9H,10H2,1-3H3,(H,16,18)
InChIKeyDMMNNGUSXFGCHS-UHFFFAOYSA-N
XLogP1.91
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-[methyl(methylsulfonyl)amino]benzamide
CID 50947122
3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 935017
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 27244504
N-(furan-2-ylmethyl)-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 75486487
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
N-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 1251601
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1137010
N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1107707
N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2335111
4-(diethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 2596785

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-methyl-4-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-methyl-4-[methyl(methylsulfonyl)amino]benzamide (CID 53278122) is N-(furan-2-ylmethyl)-3-methyl-4-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-methyl-4-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-methyl-4-[methyl(methylsulfonyl)amino]benzamide is Cc1cc(C(=O)NCc2ccco2)ccc1N(C)S(C)(=O)=O.
What is the InChIKey of N-(furan-2-ylmethyl)-3-methyl-4-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is DMMNNGUSXFGCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-11-9-12(6-7-14(11)17(2)22(3,19)20)15(18)16-10-13-5-4-8-21-13/h4-9H,10H2,1-3H3,(H,16,18).
What are the key properties of N-(furan-2-ylmethyl)-3-methyl-4-[methyl(methylsulfonyl)amino]benzamide?
N-(furan-2-ylmethyl)-3-methyl-4-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 322.39 g/mol, XLogP of 1.91, 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)-3-methyl-4-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 53278122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).