2-[methyl(methylsulfonyl)amino]-N-(tetrahydro-2-furanylmethyl)benzamide

C14H20N2O4S — CID 2955389

IUPAC2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(C1=CC=CC=C1C(=O)NCC2CCCO2)S(=O)(=O)C
InChIInChI=1S/C14H20N2O4S/c1-16(21(2,18)19)13-8-4-3-7-12(13)14(17)15-10-11-6-5-9-20-11/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,15,17)
InChIKeyLYFUSHRRVVHJMK-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.80
Rot. Bonds5

About 2-[methyl(methylsulfonyl)amino]-N-(tetrahydro-2-furanylmethyl)benzamide

2-[methyl(methylsulfonyl)amino]-N-(tetrahydro-2-furanylmethyl)benzamide (PubChem CID 2955389) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-(tetrahydro-2-furanylmethyl)benzamide
PubChem CID2955389
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(C1=CC=CC=C1C(=O)NCC2CCCO2)S(=O)(=O)C
InChIInChI=1S/C14H20N2O4S/c1-16(21(2,18)19)13-8-4-3-7-12(13)14(17)15-10-11-6-5-9-20-11/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,15,17)
InChIKeyLYFUSHRRVVHJMK-UHFFFAOYSA-N
XLogP0.80
TPSA84.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity460

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(tetrahydro-2-furanylmethyl)benzamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(tetrahydro-2-furanylmethyl)benzamide (CID 2955389) is 2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-(tetrahydro-2-furanylmethyl)benzamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-(tetrahydro-2-furanylmethyl)benzamide is CN(C1=CC=CC=C1C(=O)NCC2CCCO2)S(=O)(=O)C.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-(tetrahydro-2-furanylmethyl)benzamide?
The InChIKey is LYFUSHRRVVHJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-16(21(2,18)19)13-8-4-3-7-12(13)14(17)15-10-11-6-5-9-20-11/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,15,17).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-(tetrahydro-2-furanylmethyl)benzamide?
2-[methyl(methylsulfonyl)amino]-N-(tetrahydro-2-furanylmethyl)benzamide has a molecular weight of 312.39 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-(tetrahydro-2-furanylmethyl)benzamide is sourced from PubChem (CID 2955389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).