6-(2,3-dihydroindol-1-ylsulfonyl)-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one

C23H25N3O5S — CID 20879637

IUPAC6-(2,3-dihydroindol-1-ylsulfonyl)-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCC1CCCN(C(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCc5ccccc54)ccc32)C1
InChIInChI=1S/C23H25N3O5S/c1-16-5-4-11-24(14-16)22(27)15-25-20-9-8-18(13-21(20)31-23(25)28)32(29,30)26-12-10-17-6-2-3-7-19(17)26/h2-3,6-9,13,16H,4-5,10-12,14-15H2,1H3
InChIKeyOEBFPIRRZMCPNV-UHFFFAOYSA-N
MW455.54 g/mol
LogP2.60
Rot. Bonds4

About 6-(2,3-dihydroindol-1-ylsulfonyl)-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one

6-(2,3-dihydroindol-1-ylsulfonyl)-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one (PubChem CID 20879637) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-ylsulfonyl)-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-ylsulfonyl)-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
PubChem CID20879637
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC Name6-(2,3-dihydroindol-1-ylsulfonyl)-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCC1CCCN(C(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCc5ccccc54)ccc32)C1
InChIInChI=1S/C23H25N3O5S/c1-16-5-4-11-24(14-16)22(27)15-25-20-9-8-18(13-21(20)31-23(25)28)32(29,30)26-12-10-17-6-2-3-7-19(17)26/h2-3,6-9,13,16H,4-5,10-12,14-15H2,1H3
InChIKeyOEBFPIRRZMCPNV-UHFFFAOYSA-N
XLogP2.60
TPSA92.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(2,3-dihydroindol-1-ylsulfonyl)-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one with MolForge

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Related Compounds

6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one
CID 19260005
6-(azepan-1-ylsulfonyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 23603554
propyl 2-[6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53052002
3-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 92666366
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 20879615
6-(azepan-1-ylsulfonyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
CID 19260010
3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one
CID 53298160
3-(2-morpholin-4-yl-2-oxoethyl)-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 19259995
[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 24981846
N-benzyl-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20879583
N-cyclopentyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazole-6-sulfonamide
CID 20879564
2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 3590658

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-ylsulfonyl)-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 6-(2,3-dihydroindol-1-ylsulfonyl)-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one (CID 20879637) is 6-(2,3-dihydroindol-1-ylsulfonyl)-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(2,3-dihydroindol-1-ylsulfonyl)-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(2,3-dihydroindol-1-ylsulfonyl)-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one is CC1CCCN(C(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCc5ccccc54)ccc32)C1.
What is the InChIKey of 6-(2,3-dihydroindol-1-ylsulfonyl)-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one?
The InChIKey is OEBFPIRRZMCPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-16-5-4-11-24(14-16)22(27)15-25-20-9-8-18(13-21(20)31-23(25)28)32(29,30)26-12-10-17-6-2-3-7-19(17)26/h2-3,6-9,13,16H,4-5,10-12,14-15H2,1H3.
What are the key properties of 6-(2,3-dihydroindol-1-ylsulfonyl)-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one?
6-(2,3-dihydroindol-1-ylsulfonyl)-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one has a molecular weight of 455.54 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-ylsulfonyl)-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 20879637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).