2-(2-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide

C15H22N2O4S — CID 2896626

IUPAC2-(2-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccccc1N(CC(=O)NCC1CCCO1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O4S/c1-12-6-3-4-8-14(12)17(22(2,19)20)11-15(18)16-10-13-7-5-9-21-13/h3-4,6,8,13H,5,7,9-11H2,1-2H3,(H,16,18)
InChIKeyJCQYYYVXUWRBOT-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.06
Rot. Bonds6

About 2-(2-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide

2-(2-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2896626) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(2-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2896626
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-(2-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccccc1N(CC(=O)NCC1CCCO1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O4S/c1-12-6-3-4-8-14(12)17(22(2,19)20)11-15(18)16-10-13-7-5-9-21-13/h3-4,6,8,13H,5,7,9-11H2,1-2H3,(H,16,18)
InChIKeyJCQYYYVXUWRBOT-UHFFFAOYSA-N
XLogP1.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(3-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 551256
N'-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 2883455
N-(3,4-dimethylphenyl)-N'-(tetrahydrofuran-2-ylmethyl)ethanediamide
CID 3136544
N-(2-methylphenyl)-N-[2-(morpholin-4-yl)-2-oxoethyl]methanesulfonamide
CID 694747
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 2883500
N1-(3,5-dimethylphenyl)-N2-((tetrahydrofuran-2-yl)methyl)oxalamide
CID 2889264
4-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 2947648
N~2~-(2-methyl-5-nitrophenyl)-N~2~-(methylsulfonyl)-N~1~-(tetrahydro-2-furanylmethyl)glycinamide
CID 2949107
2-[methyl(methylsulfonyl)amino]-N-(tetrahydro-2-furanylmethyl)benzamide
CID 2955389
2-[N-(3-chlorophenyl)methanesulfonamido]-N-(oxolan-2-ylmethyl)acetamide
CID 3144142
2-(N-methylsulfonyl-3-nitroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2928771
2-[(3-Chloro-4-methyl-phenyl)-methanesulfonyl-amino]-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 649423

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide (CID 2896626) is 2-(2-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide is Cc1ccccc1N(CC(=O)NCC1CCCO1)S(C)(=O)=O.
What is the InChIKey of 2-(2-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is JCQYYYVXUWRBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-12-6-3-4-8-14(12)17(22(2,19)20)11-15(18)16-10-13-7-5-9-21-13/h3-4,6,8,13H,5,7,9-11H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
2-(2-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 326.42 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2896626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).