2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone

C23H24ClN3O4S — CID 110829438

IUPAC2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
SMILESCC1CCCN(S(=O)(=O)c2cccc(C(=O)CNc3cc(-c4ccc(Cl)cc4)no3)c2)C1
InChIInChI=1S/C23H24ClN3O4S/c1-16-4-3-11-27(15-16)32(29,30)20-6-2-5-18(12-20)22(28)14-25-23-13-21(26-31-23)17-7-9-19(24)10-8-17/h2,5-10,12-13,16,25H,3-4,11,14-15H2,1H3
InChIKeyBBDIXFXRPLNSFZ-UHFFFAOYSA-N
MW473.98 g/mol
LogP4.71
Rot. Bonds7

About 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone

2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone (PubChem CID 110829438) has the molecular formula C23H24ClN3O4S and a molecular weight of 473.98 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
PubChem CID110829438
Molecular FormulaC23H24ClN3O4S
Molecular Weight473.98 g/mol
Exact Mass473.12
IUPAC Name2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
SMILESCC1CCCN(S(=O)(=O)c2cccc(C(=O)CNc3cc(-c4ccc(Cl)cc4)no3)c2)C1
InChIInChI=1S/C23H24ClN3O4S/c1-16-4-3-11-27(15-16)32(29,30)20-6-2-5-18(12-20)22(28)14-25-23-13-21(26-31-23)17-7-9-19(24)10-8-17/h2,5-10,12-13,16,25H,3-4,11,14-15H2,1H3
InChIKeyBBDIXFXRPLNSFZ-UHFFFAOYSA-N
XLogP4.71
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.98
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone with MolForge

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Related Compounds

2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829452
2-[4-(azepan-1-ylsulfonyl)anilino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829385
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110829801
2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829463
2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829462
2-[3-(1,3-benzothiazol-2-yl)anilino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829484
2-[(4-methylphenyl)methylamino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110824705
2-[[2-(diethylamino)-2-(4-methylphenyl)ethyl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829448
2-(2-bromo-4-nitroanilino)-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829382
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829414
N-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109063050
2-[[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-1-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829317

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone?
The IUPAC name of 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone (CID 110829438) is 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone is CC1CCCN(S(=O)(=O)c2cccc(C(=O)CNc3cc(-c4ccc(Cl)cc4)no3)c2)C1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone?
The InChIKey is BBDIXFXRPLNSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4S/c1-16-4-3-11-27(15-16)32(29,30)20-6-2-5-18(12-20)22(28)14-25-23-13-21(26-31-23)17-7-9-19(24)10-8-17/h2,5-10,12-13,16,25H,3-4,11,14-15H2,1H3.
What are the key properties of 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone?
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone has a molecular weight of 473.98 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone is sourced from PubChem (CID 110829438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).