N-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide

C16H24N2O4S — CID 113149682

IUPACN-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
SMILESCc1cc(C)cc(NC(=O)CN(CC2CCCO2)S(C)(=O)=O)c1
InChIInChI=1S/C16H24N2O4S/c1-12-7-13(2)9-14(8-12)17-16(19)11-18(23(3,20)21)10-15-5-4-6-22-15/h7-9,15H,4-6,10-11H2,1-3H3,(H,17,19)
InChIKeyANCXLDLCHOIGHG-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.68
Rot. Bonds6

About N-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide

N-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide (PubChem CID 113149682) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
PubChem CID113149682
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
SMILESCc1cc(C)cc(NC(=O)CN(CC2CCCO2)S(C)(=O)=O)c1
InChIInChI=1S/C16H24N2O4S/c1-12-7-13(2)9-14(8-12)17-16(19)11-18(23(3,20)21)10-15-5-4-6-22-15/h7-9,15H,4-6,10-11H2,1-3H3,(H,17,19)
InChIKeyANCXLDLCHOIGHG-UHFFFAOYSA-N
XLogP1.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149674
N-(4-bromophenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149708
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 113149672
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149739
N-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149685
N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209277
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide
CID 113149591
N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113138003
N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-oxolan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 7237376
N-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149615
N-(3-methylphenyl)-2-[(4-nitrophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide
CID 17349606
N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 55352557

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide (CID 113149682) is N-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide is Cc1cc(C)cc(NC(=O)CN(CC2CCCO2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
The InChIKey is ANCXLDLCHOIGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12-7-13(2)9-14(8-12)17-16(19)11-18(23(3,20)21)10-15-5-4-6-22-15/h7-9,15H,4-6,10-11H2,1-3H3,(H,17,19).
What are the key properties of N-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
N-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide has a molecular weight of 340.45 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 113149682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).