4-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-piperidin-1-ylsulfonylbenzamide

C23H27N3O4S2 — CID 100553679

IUPAC4-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H27N3O4S2/c1-15(2)26-19-10-9-18(14-20(19)31-23(26)28)24-22(27)17-8-7-16(3)21(13-17)32(29,30)25-11-5-4-6-12-25/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,27)
InChIKeyVLZSYLMGGXLATM-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.38
Rot. Bonds5

About 4-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-piperidin-1-ylsulfonylbenzamide

4-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 100553679) has the molecular formula C23H27N3O4S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 4-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID100553679
Molecular FormulaC23H27N3O4S2
Molecular Weight473.62 g/mol
Exact Mass473.14
IUPAC Name4-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H27N3O4S2/c1-15(2)26-19-10-9-18(14-20(19)31-23(26)28)24-22(27)17-8-7-16(3)21(13-17)32(29,30)25-11-5-4-6-12-25/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,27)
InChIKeyVLZSYLMGGXLATM-UHFFFAOYSA-N
XLogP4.38
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-piperidin-1-ylsulfonylbenzamide with MolForge

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 100541294
4-chloro-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 100529582
N-(3-chloro-4-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059846
4-morpholin-4-ylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100561326
N-(3-iodo-4-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3963878
N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3319153
N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2666218
N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8885356
N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7914517
4-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 100541317
N-[4-[(2R)-butan-2-yl]phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7935740
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-piperidin-1-ylsulfonylbenzamide (CID 100553679) is 4-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is VLZSYLMGGXLATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S2/c1-15(2)26-19-10-9-18(14-20(19)31-23(26)28)24-22(27)17-8-7-16(3)21(13-17)32(29,30)25-11-5-4-6-12-25/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,27).
What are the key properties of 4-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-piperidin-1-ylsulfonylbenzamide?
4-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 473.62 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 100553679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).