4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide

C24H25N3O3S2 — CID 5222678

IUPAC4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)Cc3ccccc3-4)cc2)C1
InChIInChI=1S/C24H25N3O3S2/c1-15-11-16(2)14-27(13-15)32(29,30)19-9-7-17(8-10-19)23(28)26-24-25-22-20-6-4-3-5-18(20)12-21(22)31-24/h3-10,15-16H,11-14H2,1-2H3,(H,25,26,28)
InChIKeyDIPRTNQBIBCYSS-UHFFFAOYSA-N
MW467.62 g/mol
LogP4.63
Rot. Bonds4

About 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide (PubChem CID 5222678) has the molecular formula C24H25N3O3S2 and a molecular weight of 467.62 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide
PubChem CID5222678
Molecular FormulaC24H25N3O3S2
Molecular Weight467.62 g/mol
Exact Mass467.13
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)Cc3ccccc3-4)cc2)C1
InChIInChI=1S/C24H25N3O3S2/c1-15-11-16(2)14-27(13-15)32(29,30)19-9-7-17(8-10-19)23(28)26-24-25-22-20-6-4-3-5-18(20)12-21(22)31-24/h3-10,15-16H,11-14H2,1-2H3,(H,25,26,28)
InChIKeyDIPRTNQBIBCYSS-UHFFFAOYSA-N
XLogP4.63
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4145482
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 40852738
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993134
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 44975817
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 41038013
N-(7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 162493645
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide
CID 4643790
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 75815245
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide
CID 27602410
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2678127
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 4246673
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 41038037

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide (CID 5222678) is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide is CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)Cc3ccccc3-4)cc2)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide?
The InChIKey is DIPRTNQBIBCYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S2/c1-15-11-16(2)14-27(13-15)32(29,30)19-9-7-17(8-10-19)23(28)26-24-25-22-20-6-4-3-5-18(20)12-21(22)31-24/h3-10,15-16H,11-14H2,1-2H3,(H,25,26,28).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide?
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide has a molecular weight of 467.62 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide is sourced from PubChem (CID 5222678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).