1-[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C23H28N4O4S2 — CID 55811027

IUPAC1-[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1
InChIInChI=1S/C23H28N4O4S2/c28-21(25-23-24-11-15-32-23)20-7-4-12-26(17-20)22(29)19-8-13-27(14-9-19)33(30,31)16-10-18-5-2-1-3-6-18/h1-3,5-6,10-11,15-16,19-20H,4,7-9,12-14,17H2,(H,24,25,28)/b16-10+
InChIKeyCKEZPDPQKKSZKF-MHWRWJLKSA-N
MW488.64 g/mol
LogP3.03
Rot. Bonds6

About 1-[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 55811027) has the molecular formula C23H28N4O4S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 1-[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID55811027
Molecular FormulaC23H28N4O4S2
Molecular Weight488.64 g/mol
Exact Mass488.16
IUPAC Name1-[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1
InChIInChI=1S/C23H28N4O4S2/c28-21(25-23-24-11-15-32-23)20-7-4-12-26(17-20)22(29)19-8-13-27(14-9-19)33(30,31)16-10-18-5-2-1-3-6-18/h1-3,5-6,10-11,15-16,19-20H,4,7-9,12-14,17H2,(H,24,25,28)/b16-10+
InChIKeyCKEZPDPQKKSZKF-MHWRWJLKSA-N
XLogP3.03
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828987
(3R)-N-(1,3-thiazol-2-yl)-1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-3-carboxamide
CID 94131967
(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94131947
[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone
CID 42907208
1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55810960
1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 26592122
N-(5-bromo-2-pyridinyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-3-carboxamide
CID 60542624
(3S)-1-(2-prop-2-enylsulfanylacetyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94800017
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163
(3S)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 94656232
(3R)-1-[(2E,4E)-hexa-2,4-dienoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94816093
(2-methylmorpholin-4-yl)-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone
CID 51291409

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 55811027) is 1-[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nccs1)C1CCCN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1.
What is the InChIKey of 1-[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is CKEZPDPQKKSZKF-MHWRWJLKSA-N. The full InChI is InChI=1S/C23H28N4O4S2/c28-21(25-23-24-11-15-32-23)20-7-4-12-26(17-20)22(29)19-8-13-27(14-9-19)33(30,31)16-10-18-5-2-1-3-6-18/h1-3,5-6,10-11,15-16,19-20H,4,7-9,12-14,17H2,(H,24,25,28)/b16-10+.
What are the key properties of 1-[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 488.64 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 55811027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).