N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C24H32N2O4S — CID 55352557

IUPACN-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)CC2CCCO2)c(C)c1
InChIInChI=1S/C24H32N2O4S/c1-16-12-18(3)24(19(4)13-16)31(28,29)26(14-21-9-7-11-30-21)15-23(27)25-22-10-6-8-17(2)20(22)5/h6,8,10,12-13,21H,7,9,11,14-15H2,1-5H3,(H,25,27)
InChIKeyOEIZEUGUIUYHRF-UHFFFAOYSA-N
MW444.60 g/mol
LogP4.04
Rot. Bonds7

About N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 55352557) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID55352557
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC NameN-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)CC2CCCO2)c(C)c1
InChIInChI=1S/C24H32N2O4S/c1-16-12-18(3)24(19(4)13-16)31(28,29)26(14-21-9-7-11-30-21)15-23(27)25-22-10-6-8-17(2)20(22)5/h6,8,10,12-13,21H,7,9,11,14-15H2,1-5H3,(H,25,27)
InChIKeyOEIZEUGUIUYHRF-UHFFFAOYSA-N
XLogP4.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-oxolan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 7237376
2-[(2-chloro-4-fluorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 55558930
N-(2,3-dimethylphenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide
CID 45352760
N-(2,3-dimethylphenyl)-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126371925
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8504343
N-(2,3-dimethylphenyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1314170
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
CID 8012550
N-(3-methylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149674
N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 86911150
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methyl-4-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8504329
N-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149682
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 55352557) is N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)CC2CCCO2)c(C)c1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is OEIZEUGUIUYHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-16-12-18(3)24(19(4)13-16)31(28,29)26(14-21-9-7-11-30-21)15-23(27)25-22-10-6-8-17(2)20(22)5/h6,8,10,12-13,21H,7,9,11,14-15H2,1-5H3,(H,25,27).
What are the key properties of N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 444.60 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 55352557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).