2-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-methylamino]-N-(3-fluorophenyl)acetamide

C16H24FN3O3S — CID 25490466

IUPAC2-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-methylamino]-N-(3-fluorophenyl)acetamide
SMILESC[C@@H]1C[C@H](C)CN(S(=O)(=O)N(C)CC(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C16H24FN3O3S/c1-12-7-13(2)10-20(9-12)24(22,23)19(3)11-16(21)18-15-6-4-5-14(17)8-15/h4-6,8,12-13H,7,9-11H2,1-3H3,(H,18,21)/t12-,13+
InChIKeyBVHITXNRLLMBLT-BETUJISGSA-N
MW357.45 g/mol
LogP1.92
Rot. Bonds5

About 2-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-methylamino]-N-(3-fluorophenyl)acetamide

2-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-methylamino]-N-(3-fluorophenyl)acetamide (PubChem CID 25490466) has the molecular formula C16H24FN3O3S and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-methylamino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-methylamino]-N-(3-fluorophenyl)acetamide
PubChem CID25490466
Molecular FormulaC16H24FN3O3S
Molecular Weight357.45 g/mol
Exact Mass357.15
IUPAC Name2-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-methylamino]-N-(3-fluorophenyl)acetamide
SMILESC[C@@H]1C[C@H](C)CN(S(=O)(=O)N(C)CC(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C16H24FN3O3S/c1-12-7-13(2)10-20(9-12)24(22,23)19(3)11-16(21)18-15-6-4-5-14(17)8-15/h4-6,8,12-13H,7,9-11H2,1-3H3,(H,18,21)/t12-,13+
InChIKeyBVHITXNRLLMBLT-BETUJISGSA-N
XLogP1.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 26942310
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
N-(3-fluorophenyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]acetamide
CID 8846327
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]acetamide
CID 42936462
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
2-[[2-(3-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838270
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824691
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049384

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-methylamino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-methylamino]-N-(3-fluorophenyl)acetamide (CID 25490466) is 2-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-methylamino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-methylamino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-methylamino]-N-(3-fluorophenyl)acetamide is C[C@@H]1C[C@H](C)CN(S(=O)(=O)N(C)CC(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of 2-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-methylamino]-N-(3-fluorophenyl)acetamide?
The InChIKey is BVHITXNRLLMBLT-BETUJISGSA-N. The full InChI is InChI=1S/C16H24FN3O3S/c1-12-7-13(2)10-20(9-12)24(22,23)19(3)11-16(21)18-15-6-4-5-14(17)8-15/h4-6,8,12-13H,7,9-11H2,1-3H3,(H,18,21)/t12-,13+.
What are the key properties of 2-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-methylamino]-N-(3-fluorophenyl)acetamide?
2-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-methylamino]-N-(3-fluorophenyl)acetamide has a molecular weight of 357.45 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-methylamino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 25490466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).