1-(4-fluorophenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide

C22H20FN3O3S3 — CID 16828973

IUPAC1-(4-fluorophenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CSc1ccccc1-2)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C22H20FN3O3S3/c23-15-7-9-16(10-8-15)32(28,29)26-11-3-4-14(12-26)21(27)25-22-24-20-17-5-1-2-6-18(17)30-13-19(20)31-22/h1-2,5-10,14H,3-4,11-13H2,(H,24,25,27)
InChIKeyYPECLIKZQCXZGN-UHFFFAOYSA-N
MW489.62 g/mol
LogP4.59
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 16828973) has the molecular formula C22H20FN3O3S3 and a molecular weight of 489.62 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
PubChem CID16828973
Molecular FormulaC22H20FN3O3S3
Molecular Weight489.62 g/mol
Exact Mass489.07
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CSc1ccccc1-2)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C22H20FN3O3S3/c23-15-7-9-16(10-8-15)32(28,29)26-11-3-4-14(12-26)21(27)25-22-24-20-17-5-1-2-6-18(17)30-13-19(20)31-22/h1-2,5-10,14H,3-4,11-13H2,(H,24,25,27)
InChIKeyYPECLIKZQCXZGN-UHFFFAOYSA-N
XLogP4.59
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 16829204
1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 16861664
1-(3-methylsulfonylphenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-4-carboxamide
CID 16828579
N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 16828886
ethyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16861535
N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 16828983
1-(benzenesulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16828884
(3S)-1-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 7371815
(3R)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008721
(3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008719
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 16861769
1-(4-fluorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 133166796

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide (CID 16828973) is 1-(4-fluorophenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nc2c(s1)CSc1ccccc1-2)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is YPECLIKZQCXZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3S3/c23-15-7-9-16(10-8-15)32(28,29)26-11-3-4-14(12-26)21(27)25-22-24-20-17-5-1-2-6-18(17)30-13-19(20)31-22/h1-2,5-10,14H,3-4,11-13H2,(H,24,25,27).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 16828973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).