1-(4-acetylphenyl)sulfonyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-2-carboxamide

C23H28N4O5S — CID 55909975

IUPAC1-(4-acetylphenyl)sulfonyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-2-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(=O)Nc2ccc(N3CCOCC3)cn2)cc1
InChIInChI=1S/C23H28N4O5S/c1-17(28)18-5-8-20(9-6-18)33(30,31)27-11-3-2-4-21(27)23(29)25-22-10-7-19(16-24-22)26-12-14-32-15-13-26/h5-10,16,21H,2-4,11-15H2,1H3,(H,24,25,29)
InChIKeyXQVWYSRRJYBHOA-UHFFFAOYSA-N
MW472.57 g/mol
LogP2.30
Rot. Bonds6

About 1-(4-acetylphenyl)sulfonyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-2-carboxamide

1-(4-acetylphenyl)sulfonyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-2-carboxamide (PubChem CID 55909975) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is 1-(4-acetylphenyl)sulfonyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-acetylphenyl)sulfonyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-2-carboxamide
PubChem CID55909975
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC Name1-(4-acetylphenyl)sulfonyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-2-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(=O)Nc2ccc(N3CCOCC3)cn2)cc1
InChIInChI=1S/C23H28N4O5S/c1-17(28)18-5-8-20(9-6-18)33(30,31)27-11-3-2-4-21(27)23(29)25-22-10-7-19(16-24-22)26-12-14-32-15-13-26/h5-10,16,21H,2-4,11-15H2,1H3,(H,24,25,29)
InChIKeyXQVWYSRRJYBHOA-UHFFFAOYSA-N
XLogP2.30
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-1-(4-methylphenyl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 32947927
1-(4-acetylphenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-2-carboxamide
CID 55359494
1-methylsulfonyl-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-2-carboxamide
CID 60571418
6-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-N-methylpyridine-3-carboxamide
CID 167955369
1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone
CID 63845358
2-(4-acetylphenoxy)-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 38142916
1-(4-acetylphenyl)sulfonyl-N-(4-ethoxyphenyl)piperidine-2-carboxamide
CID 55333838
N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]cyclohexanecarboxamide
CID 113029109
1-(2-methylpropanoyl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-4-carboxamide
CID 33448100
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113024875
1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 55335097
N-(5-morpholin-4-yl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 119842040

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-2-carboxamide?
The IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-2-carboxamide (CID 55909975) is 1-(4-acetylphenyl)sulfonyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-acetylphenyl)sulfonyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(4-acetylphenyl)sulfonyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-2-carboxamide is CC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(=O)Nc2ccc(N3CCOCC3)cn2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)sulfonyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-2-carboxamide?
The InChIKey is XQVWYSRRJYBHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-17(28)18-5-8-20(9-6-18)33(30,31)27-11-3-2-4-21(27)23(29)25-22-10-7-19(16-24-22)26-12-14-32-15-13-26/h5-10,16,21H,2-4,11-15H2,1H3,(H,24,25,29).
What are the key properties of 1-(4-acetylphenyl)sulfonyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-2-carboxamide?
1-(4-acetylphenyl)sulfonyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-2-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)sulfonyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-2-carboxamide is sourced from PubChem (CID 55909975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).