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

C23H23N3O4S3 — CID 16829204

IUPAC1-(4-methoxyphenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3nc4c(s3)CSc3ccccc3-4)C2)cc1
InChIInChI=1S/C23H23N3O4S3/c1-30-16-8-10-17(11-9-16)33(28,29)26-12-4-5-15(13-26)22(27)25-23-24-21-18-6-2-3-7-19(18)31-14-20(21)32-23/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,24,25,27)
InChIKeyPOVNWUPHMNJKIX-UHFFFAOYSA-N
MW501.66 g/mol
LogP4.46
Rot. Bonds5

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

1-(4-methoxyphenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 16829204) has the molecular formula C23H23N3O4S3 and a molecular weight of 501.66 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
PubChem CID16829204
Molecular FormulaC23H23N3O4S3
Molecular Weight501.66 g/mol
Exact Mass501.09
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3nc4c(s3)CSc3ccccc3-4)C2)cc1
InChIInChI=1S/C23H23N3O4S3/c1-30-16-8-10-17(11-9-16)33(28,29)26-12-4-5-15(13-26)22(27)25-23-24-21-18-6-2-3-7-19(18)31-14-20(21)32-23/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,24,25,27)
InChIKeyPOVNWUPHMNJKIX-UHFFFAOYSA-N
XLogP4.46
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.66
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 16828973
1-(4-methoxyphenyl)sulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16829109
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16829217
N-benzo[e][1,3]benzothiazol-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16829102
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-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16829248
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16829241
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16862951
N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16862782

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide (CID 16829204) is 1-(4-methoxyphenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3nc4c(s3)CSc3ccccc3-4)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is POVNWUPHMNJKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S3/c1-30-16-8-10-17(11-9-16)33(28,29)26-12-4-5-15(13-26)22(27)25-23-24-21-18-6-2-3-7-19(18)31-14-20(21)32-23/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,24,25,27).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 501.66 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 16829204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).