N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]-N-methylacetamide

C19H22FN3O4S — CID 9437557

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]-N-methylacetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)CNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C19H22FN3O4S/c1-13-6-4-7-14(2)19(13)22-17(24)12-23(3)18(25)11-21-28(26,27)16-9-5-8-15(20)10-16/h4-10,21H,11-12H2,1-3H3,(H,22,24)
InChIKeyBSBBGBCEUPVQHR-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.82
Rot. Bonds7

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]-N-methylacetamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]-N-methylacetamide (PubChem CID 9437557) has the molecular formula C19H22FN3O4S and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]-N-methylacetamide
PubChem CID9437557
Molecular FormulaC19H22FN3O4S
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]-N-methylacetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)CNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C19H22FN3O4S/c1-13-6-4-7-14(2)19(13)22-17(24)12-23(3)18(25)11-21-28(26,27)16-9-5-8-15(20)10-16/h4-10,21H,11-12H2,1-3H3,(H,22,24)
InChIKeyBSBBGBCEUPVQHR-UHFFFAOYSA-N
XLogP1.82
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961607
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-fluorobenzoate
CID 9198407
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55401494
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 8600824
2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772528
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
CID 31931546
N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 78781511
[2-(2-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961710
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 9230909
N-(2-ethyl-6-methylphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 112997050
2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9438462
2-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 26941914

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]-N-methylacetamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]-N-methylacetamide (CID 9437557) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]-N-methylacetamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]-N-methylacetamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]-N-methylacetamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)CNS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]-N-methylacetamide?
The InChIKey is BSBBGBCEUPVQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4S/c1-13-6-4-7-14(2)19(13)22-17(24)12-23(3)18(25)11-21-28(26,27)16-9-5-8-15(20)10-16/h4-10,21H,11-12H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]-N-methylacetamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]-N-methylacetamide has a molecular weight of 407.47 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 9437557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).