[2-[[(4-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]amino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone

C23H24FN3O3S2 — CID 87667447

IUPAC[2-[[(4-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]amino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1cnc(NC(C2CCNCC2)S(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C23H24FN3O3S2/c1-15-4-2-3-5-19(15)21(28)20-14-26-23(31-20)27-22(16-10-12-25-13-11-16)32(29,30)18-8-6-17(24)7-9-18/h2-9,14,16,22,25H,10-13H2,1H3,(H,26,27)
InChIKeyXZDMPBNXBUQOAN-UHFFFAOYSA-N
MW473.60 g/mol
LogP4.03
Rot. Bonds7

About [2-[[(4-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]amino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone

[2-[[(4-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]amino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone (PubChem CID 87667447) has the molecular formula C23H24FN3O3S2 and a molecular weight of 473.60 g/mol. Its IUPAC name is [2-[[(4-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]amino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[2-[[(4-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]amino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone
PubChem CID87667447
Molecular FormulaC23H24FN3O3S2
Molecular Weight473.60 g/mol
Exact Mass473.12
IUPAC Name[2-[[(4-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]amino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1cnc(NC(C2CCNCC2)S(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C23H24FN3O3S2/c1-15-4-2-3-5-19(15)21(28)20-14-26-23(31-20)27-22(16-10-12-25-13-11-16)32(29,30)18-8-6-17(24)7-9-18/h2-9,14,16,22,25H,10-13H2,1H3,(H,26,27)
InChIKeyXZDMPBNXBUQOAN-UHFFFAOYSA-N
XLogP4.03
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[[(4-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]amino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone?
The IUPAC name of [2-[[(4-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]amino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone (CID 87667447) is [2-[[(4-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]amino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [2-[[(4-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]amino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [2-[[(4-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]amino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1cnc(NC(C2CCNCC2)S(=O)(=O)c2ccc(F)cc2)s1.
What is the InChIKey of [2-[[(4-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]amino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone?
The InChIKey is XZDMPBNXBUQOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3S2/c1-15-4-2-3-5-19(15)21(28)20-14-26-23(31-20)27-22(16-10-12-25-13-11-16)32(29,30)18-8-6-17(24)7-9-18/h2-9,14,16,22,25H,10-13H2,1H3,(H,26,27).
What are the key properties of [2-[[(4-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]amino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone?
[2-[[(4-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]amino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone has a molecular weight of 473.60 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(4-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]amino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 87667447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).