4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide

C18H23N3O3S2 — CID 2678127

IUPAC4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)s1
InChIInChI=1S/C18H23N3O3S2/c1-12-8-13(2)11-21(10-12)26(23,24)16-6-4-15(5-7-16)17(22)20-18-19-9-14(3)25-18/h4-7,9,12-13H,8,10-11H2,1-3H3,(H,19,20,22)/t12-,13-/m0/s1
InChIKeyXYTYLKQRLUPUMH-STQMWFEESA-N
MW393.53 g/mol
LogP3.37
Rot. Bonds4

About 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide

4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 2678127) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID2678127
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC Name4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)s1
InChIInChI=1S/C18H23N3O3S2/c1-12-8-13(2)11-21(10-12)26(23,24)16-6-4-15(5-7-16)17(22)20-18-19-9-14(3)25-18/h4-7,9,12-13H,8,10-11H2,1-3H3,(H,19,20,22)/t12-,13-/m0/s1
InChIKeyXYTYLKQRLUPUMH-STQMWFEESA-N
XLogP3.37
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 2358996
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 5207549
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 75815245
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 41038013
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide
CID 4643790
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 3329820
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 41038037
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 4246673
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 40852738
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 27602452
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 4113027
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-fluorophenyl)benzamide
CID 2634767

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 2678127) is 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide is Cc1cnc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)s1.
What is the InChIKey of 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is XYTYLKQRLUPUMH-STQMWFEESA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-12-8-13(2)11-21(10-12)26(23,24)16-6-4-15(5-7-16)17(22)20-18-19-9-14(3)25-18/h4-7,9,12-13H,8,10-11H2,1-3H3,(H,19,20,22)/t12-,13-/m0/s1.
What are the key properties of 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 393.53 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2678127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).