N-benzyl-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide

C23H27N3O5S — CID 20879583

IUPACN-benzyl-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCC1CC(C)CN(C(=O)Cn2c(=O)oc3cc(S(=O)(=O)NCc4ccccc4)ccc32)C1
InChIInChI=1S/C23H27N3O5S/c1-16-10-17(2)14-25(13-16)22(27)15-26-20-9-8-19(11-21(20)31-23(26)28)32(29,30)24-12-18-6-4-3-5-7-18/h3-9,11,16-17,24H,10,12-15H2,1-2H3
InChIKeyZTVCOVOJQZPBPY-UHFFFAOYSA-N
MW457.55 g/mol
LogP2.58
Rot. Bonds6

About N-benzyl-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide

N-benzyl-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 20879583) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is N-benzyl-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID20879583
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC NameN-benzyl-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCC1CC(C)CN(C(=O)Cn2c(=O)oc3cc(S(=O)(=O)NCc4ccccc4)ccc32)C1
InChIInChI=1S/C23H27N3O5S/c1-16-10-17(2)14-25(13-16)22(27)15-26-20-9-8-19(11-21(20)31-23(26)28)32(29,30)24-12-18-6-4-3-5-7-18/h3-9,11,16-17,24H,10,12-15H2,1-2H3
InChIKeyZTVCOVOJQZPBPY-UHFFFAOYSA-N
XLogP2.58
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 92666366
2-[6-(benzylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3,5-dimethylphenyl)acetamide
CID 20879581
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 20879615
N-cyclopentyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazole-6-sulfonamide
CID 20879564
6-(2,3-dihydroindol-1-ylsulfonyl)-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 20879637
6-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-oxopropyl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 92886971
2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-oxo-1,3-benzoxazol-3-yl]-N-propylacetamide
CID 92542313
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 92667389
methyl 2-[2-oxo-6-[[(2S)-2-phenylpropyl]sulfamoyl]-1,3-benzoxazol-3-yl]acetate
CID 95063550
6-(azepan-1-ylsulfonyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
CID 19260010
methyl 2-[6-[(5-methylfuran-2-yl)methylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051909
N-(1-benzylpiperidin-4-yl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 16673757

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-benzyl-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 20879583) is N-benzyl-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-benzyl-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-benzyl-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide is CC1CC(C)CN(C(=O)Cn2c(=O)oc3cc(S(=O)(=O)NCc4ccccc4)ccc32)C1.
What is the InChIKey of N-benzyl-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is ZTVCOVOJQZPBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-16-10-17(2)14-25(13-16)22(27)15-26-20-9-8-19(11-21(20)31-23(26)28)32(29,30)24-12-18-6-4-3-5-7-18/h3-9,11,16-17,24H,10,12-15H2,1-2H3.
What are the key properties of N-benzyl-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-benzyl-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 457.55 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 20879583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).