N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide

C23H27N3O3S2 — CID 25188226

IUPACN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)C4CCN(S(=O)(=O)C(C)C)CC4)cc3)sc2c1
InChIInChI=1S/C23H27N3O3S2/c1-15(2)31(28,29)26-12-10-17(11-13-26)22(27)24-19-7-5-18(6-8-19)23-25-20-9-4-16(3)14-21(20)30-23/h4-9,14-15,17H,10-13H2,1-3H3,(H,24,27)
InChIKeySUGNYAQDANGGEZ-UHFFFAOYSA-N
MW457.62 g/mol
LogP4.66
Rot. Bonds5

About N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 25188226) has the molecular formula C23H27N3O3S2 and a molecular weight of 457.62 g/mol. Its IUPAC name is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID25188226
Molecular FormulaC23H27N3O3S2
Molecular Weight457.62 g/mol
Exact Mass457.15
IUPAC NameN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)C4CCN(S(=O)(=O)C(C)C)CC4)cc3)sc2c1
InChIInChI=1S/C23H27N3O3S2/c1-15(2)31(28,29)26-12-10-17(11-13-26)22(27)24-19-7-5-18(6-8-19)23-25-20-9-4-16(3)14-21(20)30-23/h4-9,14-15,17H,10-13H2,1-3H3,(H,24,27)
InChIKeySUGNYAQDANGGEZ-UHFFFAOYSA-N
XLogP4.66
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

FAAH inhibitor 1
CID 1190414
2-[6-(6-fluoro-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-methylsulfonyl-N-(2-sulfamoylethyl)acetamide
CID 89961969
Acetamide, N-(4-(2-benzothiazolyl)phenyl)-
CID 233871
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 1001148
4'-(6-Methyl-2-benzothiazolyl)acetanilide
CID 790687
N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 16830520
1-(ethanesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 25187404
1-(dimethylsulfamoyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 25187405
1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 25187406
1-[(2-chlorobenzene)sulfonyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 25187407
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(thiophene-2-sulfonyl)azetidine-3-carboxamide
CID 25187409
N-[4-(1,3-thiazol-2-yl)phenyl]-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 25187693

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide (CID 25188226) is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide is Cc1ccc2nc(-c3ccc(NC(=O)C4CCN(S(=O)(=O)C(C)C)CC4)cc3)sc2c1.
What is the InChIKey of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is SUGNYAQDANGGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S2/c1-15(2)31(28,29)26-12-10-17(11-13-26)22(27)24-19-7-5-18(6-8-19)23-25-20-9-4-16(3)14-21(20)30-23/h4-9,14-15,17H,10-13H2,1-3H3,(H,24,27).
What are the key properties of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide?
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 457.62 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 25188226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).