N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)decanamide

C18H26N2O3S2 — CID 4674921

IUPACN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)decanamide
SMILESCCCCCCCCCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
InChIInChI=1S/C18H26N2O3S2/c1-3-4-5-6-7-8-9-10-17(21)20-18-19-15-12-11-14(25(2,22)23)13-16(15)24-18/h11-13H,3-10H2,1-2H3,(H,19,20,21)
InChIKeyPGROFWUESKUOLK-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.78
Rot. Bonds10

About N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)decanamide

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)decanamide (PubChem CID 4674921) has the molecular formula C18H26N2O3S2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)decanamide.

Molecular Properties

Compound NameN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)decanamide
PubChem CID4674921
Molecular FormulaC18H26N2O3S2
Molecular Weight382.55 g/mol
Exact Mass382.14
IUPAC NameN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)decanamide
SMILESCCCCCCCCCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
InChIInChI=1S/C18H26N2O3S2/c1-3-4-5-6-7-8-9-10-17(21)20-18-19-15-12-11-14(25(2,22)23)13-16(15)24-18/h11-13H,3-10H2,1-2H3,(H,19,20,21)
InChIKeyPGROFWUESKUOLK-UHFFFAOYSA-N
XLogP4.78
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]octanamide
CID 5081796
4-(4-fluorophenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide
CID 18585976
N-(6-bromo-1,3-benzothiazol-2-yl)undecanamide
CID 3680692
N-(6-bromo-1,3-benzothiazol-2-yl)hexanamide
CID 5058354
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide
CID 108787890
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 2349260
3-cyclohexyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 1222303
4-butoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 3591335
2-(4-bromophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2059533
2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanamide
CID 3145091
2-(3,4-dimethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2666726
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 1190284

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)decanamide?
The IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)decanamide (CID 4674921) is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)decanamide.
What is the SMILES notation for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)decanamide?
The canonical SMILES for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)decanamide is CCCCCCCCCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1.
What is the InChIKey of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)decanamide?
The InChIKey is PGROFWUESKUOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S2/c1-3-4-5-6-7-8-9-10-17(21)20-18-19-15-12-11-14(25(2,22)23)13-16(15)24-18/h11-13H,3-10H2,1-2H3,(H,19,20,21).
What are the key properties of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)decanamide?
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)decanamide has a molecular weight of 382.55 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)decanamide is sourced from PubChem (CID 4674921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).