3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C27H30N4O3S — CID 41061305

IUPAC3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESO=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1
InChIInChI=1S/C27H30N4O3S/c32-24(17-23-26(34)30-27(35-23)31-14-4-1-5-15-31)28-20-11-6-10-19(16-20)25(33)29-22-13-7-9-18-8-2-3-12-21(18)22/h2-3,6,8,10-12,16,22-23H,1,4-5,7,9,13-15,17H2,(H,28,32)(H,29,33)/t22-,23+/m0/s1
InChIKeyKHTRRLHWLUWLBZ-XZOQPEGZSA-N
MW490.63 g/mol
LogP4.31
Rot. Bonds5

About 3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 41061305) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is 3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID41061305
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC Name3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESO=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1
InChIInChI=1S/C27H30N4O3S/c32-24(17-23-26(34)30-27(35-23)31-14-4-1-5-15-31)28-20-11-6-10-19(16-20)25(33)29-22-13-7-9-18-8-2-3-12-21(18)22/h2-3,6,8,10-12,16,22-23H,1,4-5,7,9,13-15,17H2,(H,28,32)(H,29,33)/t22-,23+/m0/s1
InChIKeyKHTRRLHWLUWLBZ-XZOQPEGZSA-N
XLogP4.31
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 41061305) is 3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1.
What is the InChIKey of 3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is KHTRRLHWLUWLBZ-XZOQPEGZSA-N. The full InChI is InChI=1S/C27H30N4O3S/c32-24(17-23-26(34)30-27(35-23)31-14-4-1-5-15-31)28-20-11-6-10-19(16-20)25(33)29-22-13-7-9-18-8-2-3-12-21(18)22/h2-3,6,8,10-12,16,22-23H,1,4-5,7,9,13-15,17H2,(H,28,32)(H,29,33)/t22-,23+/m0/s1.
What are the key properties of 3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 490.63 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 41061305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).