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

C14H20N2O4S — CID 2947648

IUPAC4-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(c1ccc(C(=O)NCC2CCCO2)cc1)S(C)(=O)=O
InChIInChI=1S/C14H20N2O4S/c1-16(21(2,18)19)12-7-5-11(6-8-12)14(17)15-10-13-4-3-9-20-13/h5-8,13H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyBXPYEQXPMAAHGH-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.99
Rot. Bonds5

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

4-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2947648) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2947648
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(c1ccc(C(=O)NCC2CCCO2)cc1)S(C)(=O)=O
InChIInChI=1S/C14H20N2O4S/c1-16(21(2,18)19)12-7-5-11(6-8-12)14(17)15-10-13-4-3-9-20-13/h5-8,13H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyBXPYEQXPMAAHGH-UHFFFAOYSA-N
XLogP0.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide (CID 2947648) is 4-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide is CN(c1ccc(C(=O)NCC2CCCO2)cc1)S(C)(=O)=O.
What is the InChIKey of 4-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is BXPYEQXPMAAHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-16(21(2,18)19)12-7-5-11(6-8-12)14(17)15-10-13-4-3-9-20-13/h5-8,13H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of 4-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
4-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 312.39 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2947648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).