4-fluoro-3-piperidin-1-ylsulfonyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide

C18H22FN3O3S2 — CID 86961916

IUPAC4-fluoro-3-piperidin-1-ylsulfonyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1nccs1
InChIInChI=1S/C18H22FN3O3S2/c1-18(2,17-20-8-11-26-17)21-16(23)13-6-7-14(19)15(12-13)27(24,25)22-9-4-3-5-10-22/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,21,23)
InChIKeyFWMVEJIIRCCWQM-UHFFFAOYSA-N
MW411.52 g/mol
LogP3.12
Rot. Bonds5

About 4-fluoro-3-piperidin-1-ylsulfonyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide

4-fluoro-3-piperidin-1-ylsulfonyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide (PubChem CID 86961916) has the molecular formula C18H22FN3O3S2 and a molecular weight of 411.52 g/mol. Its IUPAC name is 4-fluoro-3-piperidin-1-ylsulfonyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-piperidin-1-ylsulfonyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
PubChem CID86961916
Molecular FormulaC18H22FN3O3S2
Molecular Weight411.52 g/mol
Exact Mass411.11
IUPAC Name4-fluoro-3-piperidin-1-ylsulfonyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1nccs1
InChIInChI=1S/C18H22FN3O3S2/c1-18(2,17-20-8-11-26-17)21-16(23)13-6-7-14(19)15(12-13)27(24,25)22-9-4-3-5-10-22/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,21,23)
InChIKeyFWMVEJIIRCCWQM-UHFFFAOYSA-N
XLogP3.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 2994136
(2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 27262140
4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 55333909
N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26665148
4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26594011
N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 27906900
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 2994459
4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 78856177
4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 55597318
3,4-difluoro-N-[2-oxo-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethyl]benzamide
CID 86796428
4-fluoro-3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
CID 55794746
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-piperidin-1-ylsulfonyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide?
The IUPAC name of 4-fluoro-3-piperidin-1-ylsulfonyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide (CID 86961916) is 4-fluoro-3-piperidin-1-ylsulfonyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-3-piperidin-1-ylsulfonyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-3-piperidin-1-ylsulfonyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide is CC(C)(NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1nccs1.
What is the InChIKey of 4-fluoro-3-piperidin-1-ylsulfonyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide?
The InChIKey is FWMVEJIIRCCWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S2/c1-18(2,17-20-8-11-26-17)21-16(23)13-6-7-14(19)15(12-13)27(24,25)22-9-4-3-5-10-22/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,21,23).
What are the key properties of 4-fluoro-3-piperidin-1-ylsulfonyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide?
4-fluoro-3-piperidin-1-ylsulfonyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide has a molecular weight of 411.52 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-piperidin-1-ylsulfonyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide is sourced from PubChem (CID 86961916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).