2-[(2-chloro-4-fluorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide

C21H24ClFN2O4S — CID 55558930

IUPAC2-[(2-chloro-4-fluorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(CC2CCCO2)S(=O)(=O)c2ccc(F)cc2Cl)c1C
InChIInChI=1S/C21H24ClFN2O4S/c1-14-5-3-7-19(15(14)2)24-21(26)13-25(12-17-6-4-10-29-17)30(27,28)20-9-8-16(23)11-18(20)22/h3,5,7-9,11,17H,4,6,10,12-13H2,1-2H3,(H,24,26)
InChIKeyUYWSEXVGOGANPP-UHFFFAOYSA-N
MW454.95 g/mol
LogP3.90
Rot. Bonds7

About 2-[(2-chloro-4-fluorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide

2-[(2-chloro-4-fluorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 55558930) has the molecular formula C21H24ClFN2O4S and a molecular weight of 454.95 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID55558930
Molecular FormulaC21H24ClFN2O4S
Molecular Weight454.95 g/mol
Exact Mass454.11
IUPAC Name2-[(2-chloro-4-fluorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(CC2CCCO2)S(=O)(=O)c2ccc(F)cc2Cl)c1C
InChIInChI=1S/C21H24ClFN2O4S/c1-14-5-3-7-19(15(14)2)24-21(26)13-25(12-17-6-4-10-29-17)30(27,28)20-9-8-16(23)11-18(20)22/h3,5,7-9,11,17H,4,6,10,12-13H2,1-2H3,(H,24,26)
InChIKeyUYWSEXVGOGANPP-UHFFFAOYSA-N
XLogP3.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.95
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 55352557
N-(2,3-dimethylphenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide
CID 45352760
2-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 55406126
N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51931567
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8504343
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
CID 8012550
N-(2-chloro-4-fluorophenyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 60606738
N-(2,3-dimethylphenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 41306981
N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 86911150
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
N-(3-methylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149674
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methyl-4-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8504329

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide (CID 55558930) is 2-[(2-chloro-4-fluorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CN(CC2CCCO2)S(=O)(=O)c2ccc(F)cc2Cl)c1C.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is UYWSEXVGOGANPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O4S/c1-14-5-3-7-19(15(14)2)24-21(26)13-25(12-17-6-4-10-29-17)30(27,28)20-9-8-16(23)11-18(20)22/h3,5,7-9,11,17H,4,6,10,12-13H2,1-2H3,(H,24,26).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide?
2-[(2-chloro-4-fluorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 454.95 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 55558930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).