N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide

C19H25FN4O3S2 — CID 60508249

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide
SMILESCCc1nc(NC(=O)CN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)sc1C
InChIInChI=1S/C19H25FN4O3S2/c1-3-17-13(2)28-19(21-17)22-18(25)12-24-10-8-15(9-11-24)23-29(26,27)16-6-4-14(20)5-7-16/h4-7,15,23H,3,8-12H2,1-2H3,(H,21,22,25)
InChIKeyFEQDPMCRLBUEEZ-UHFFFAOYSA-N
MW440.57 g/mol
LogP2.53
Rot. Bonds7

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide (PubChem CID 60508249) has the molecular formula C19H25FN4O3S2 and a molecular weight of 440.57 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide
PubChem CID60508249
Molecular FormulaC19H25FN4O3S2
Molecular Weight440.57 g/mol
Exact Mass440.14
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide
SMILESCCc1nc(NC(=O)CN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)sc1C
InChIInChI=1S/C19H25FN4O3S2/c1-3-17-13(2)28-19(21-17)22-18(25)12-24-10-8-15(9-11-24)23-29(26,27)16-6-4-14(20)5-7-16/h4-7,15,23H,3,8-12H2,1-2H3,(H,21,22,25)
InChIKeyFEQDPMCRLBUEEZ-UHFFFAOYSA-N
XLogP2.53
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 55841850
2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 75435699
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 51104524
2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 37218704
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 61068278
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 112840462
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
2-[4-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60505092
2-[4-[(3,5-difluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide
CID 34268559
N-(4-bromophenyl)-3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propanamide
CID 60508186
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
CID 60506544
N-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide
CID 44588347

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide (CID 60508249) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide is CCc1nc(NC(=O)CN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide?
The InChIKey is FEQDPMCRLBUEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3S2/c1-3-17-13(2)28-19(21-17)22-18(25)12-24-10-8-15(9-11-24)23-29(26,27)16-6-4-14(20)5-7-16/h4-7,15,23H,3,8-12H2,1-2H3,(H,21,22,25).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide has a molecular weight of 440.57 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 60508249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).