1-(4-acetylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-2-carboxamide

C22H23N3O5S — CID 55571925

IUPAC1-(4-acetylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-2-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(=O)Nc2ccc3nc(C)oc3c2)cc1
InChIInChI=1S/C22H23N3O5S/c1-14(26)16-6-9-18(10-7-16)31(28,29)25-12-4-3-5-20(25)22(27)24-17-8-11-19-21(13-17)30-15(2)23-19/h6-11,13,20H,3-5,12H2,1-2H3,(H,24,27)
InChIKeyMZXKPUPPDWGDDK-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.52
Rot. Bonds5

About 1-(4-acetylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-2-carboxamide

1-(4-acetylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-2-carboxamide (PubChem CID 55571925) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is 1-(4-acetylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-acetylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-2-carboxamide
PubChem CID55571925
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC Name1-(4-acetylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-2-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(=O)Nc2ccc3nc(C)oc3c2)cc1
InChIInChI=1S/C22H23N3O5S/c1-14(26)16-6-9-18(10-7-16)31(28,29)25-12-4-3-5-20(25)22(27)24-17-8-11-19-21(13-17)30-15(2)23-19/h6-11,13,20H,3-5,12H2,1-2H3,(H,24,27)
InChIKeyMZXKPUPPDWGDDK-UHFFFAOYSA-N
XLogP3.52
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(2-methyl-1,3-benzoxazol-6-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 99702000
1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 55335097
1-(4-acetylphenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-2-carboxamide
CID 55359494
4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729102
N-(3-acetylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827874
1-(3-acetylphenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
CID 60539561
1-(4-acetylphenyl)sulfonyl-N-(4-ethoxyphenyl)piperidine-2-carboxamide
CID 55333838
(2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8701358
N-(2-methyl-1,3-benzoxazol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110729021
1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone
CID 63845358
(2S)-N-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8700873
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-2-carboxamide?
The IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-2-carboxamide (CID 55571925) is 1-(4-acetylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-acetylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-(4-acetylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-2-carboxamide is CC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(=O)Nc2ccc3nc(C)oc3c2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-2-carboxamide?
The InChIKey is MZXKPUPPDWGDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-14(26)16-6-9-18(10-7-16)31(28,29)25-12-4-3-5-20(25)22(27)24-17-8-11-19-21(13-17)30-15(2)23-19/h6-11,13,20H,3-5,12H2,1-2H3,(H,24,27).
What are the key properties of 1-(4-acetylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-2-carboxamide?
1-(4-acetylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-2-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-2-carboxamide is sourced from PubChem (CID 55571925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).