3-(4-acetyl-5-methylfuran-2-yl)-N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]propanamide

C23H30N2O5S — CID 32621475

IUPAC3-(4-acetyl-5-methylfuran-2-yl)-N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]propanamide
SMILESCC(=O)c1cc(CCC(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)oc1C
InChIInChI=1S/C23H30N2O5S/c1-15-6-5-7-16(2)25(15)31(28,29)21-11-8-19(9-12-21)24-23(27)13-10-20-14-22(17(3)26)18(4)30-20/h8-9,11-12,14-16H,5-7,10,13H2,1-4H3,(H,24,27)/t15-,16-/m0/s1
InChIKeyPMJNILOEHQXOOQ-HOTGVXAUSA-N
MW446.57 g/mol
LogP4.31
Rot. Bonds7

About 3-(4-acetyl-5-methylfuran-2-yl)-N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]propanamide

3-(4-acetyl-5-methylfuran-2-yl)-N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]propanamide (PubChem CID 32621475) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is 3-(4-acetyl-5-methylfuran-2-yl)-N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]propanamide.

Molecular Properties

Compound Name3-(4-acetyl-5-methylfuran-2-yl)-N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]propanamide
PubChem CID32621475
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC Name3-(4-acetyl-5-methylfuran-2-yl)-N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]propanamide
SMILESCC(=O)c1cc(CCC(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)oc1C
InChIInChI=1S/C23H30N2O5S/c1-15-6-5-7-16(2)25(15)31(28,29)21-11-8-19(9-12-21)24-23(27)13-10-20-14-22(17(3)26)18(4)30-20/h8-9,11-12,14-16H,5-7,10,13H2,1-4H3,(H,24,27)/t15-,16-/m0/s1
InChIKeyPMJNILOEHQXOOQ-HOTGVXAUSA-N
XLogP4.31
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 2836734
N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 26712109
2-(azepan-1-yl)-N-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 51687104
N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 40836426
N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26369208
1-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-ethylurea
CID 40952612
1-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-(4-methylphenyl)thiourea
CID 27525391
1-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-(4-methylphenyl)thiourea
CID 27525392
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide
CID 166406251
3-(4-acetyl-5-methylfuran-2-yl)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 34442879
N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide
CID 27519574
3-(4-acetyl-5-methylfuran-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 9455254

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-5-methylfuran-2-yl)-N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]propanamide?
The IUPAC name of 3-(4-acetyl-5-methylfuran-2-yl)-N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]propanamide (CID 32621475) is 3-(4-acetyl-5-methylfuran-2-yl)-N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]propanamide.
What is the SMILES notation for 3-(4-acetyl-5-methylfuran-2-yl)-N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]propanamide?
The canonical SMILES for 3-(4-acetyl-5-methylfuran-2-yl)-N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]propanamide is CC(=O)c1cc(CCC(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)oc1C.
What is the InChIKey of 3-(4-acetyl-5-methylfuran-2-yl)-N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]propanamide?
The InChIKey is PMJNILOEHQXOOQ-HOTGVXAUSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-15-6-5-7-16(2)25(15)31(28,29)21-11-8-19(9-12-21)24-23(27)13-10-20-14-22(17(3)26)18(4)30-20/h8-9,11-12,14-16H,5-7,10,13H2,1-4H3,(H,24,27)/t15-,16-/m0/s1.
What are the key properties of 3-(4-acetyl-5-methylfuran-2-yl)-N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]propanamide?
3-(4-acetyl-5-methylfuran-2-yl)-N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]propanamide has a molecular weight of 446.57 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-5-methylfuran-2-yl)-N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]propanamide is sourced from PubChem (CID 32621475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).