N-(4-methylcyclohexyl)-2-(3-oxo-1,2-benzothiazol-2-yl)butanamide

C18H24N2O2S — CID 22514992

IUPACN-(4-methylcyclohexyl)-2-(3-oxo-1,2-benzothiazol-2-yl)butanamide
SMILESCCC(C(=O)NC1CCC(C)CC1)n1sc2ccccc2c1=O
InChIInChI=1S/C18H24N2O2S/c1-3-15(17(21)19-13-10-8-12(2)9-11-13)20-18(22)14-6-4-5-7-16(14)23-20/h4-7,12-13,15H,3,8-11H2,1-2H3,(H,19,21)
InChIKeyNZLBJDMHACCKBQ-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.71
Rot. Bonds4

About N-(4-methylcyclohexyl)-2-(3-oxo-1,2-benzothiazol-2-yl)butanamide

N-(4-methylcyclohexyl)-2-(3-oxo-1,2-benzothiazol-2-yl)butanamide (PubChem CID 22514992) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-(3-oxo-1,2-benzothiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-(3-oxo-1,2-benzothiazol-2-yl)butanamide
PubChem CID22514992
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-(4-methylcyclohexyl)-2-(3-oxo-1,2-benzothiazol-2-yl)butanamide
SMILESCCC(C(=O)NC1CCC(C)CC1)n1sc2ccccc2c1=O
InChIInChI=1S/C18H24N2O2S/c1-3-15(17(21)19-13-10-8-12(2)9-11-13)20-18(22)14-6-4-5-7-16(14)23-20/h4-7,12-13,15H,3,8-11H2,1-2H3,(H,19,21)
InChIKeyNZLBJDMHACCKBQ-UHFFFAOYSA-N
XLogP3.71
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methylcyclohexyl)-2-(3-oxo-1,2-benzothiazol-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-(3-oxo-1,2-benzothiazol-2-yl)butanamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-(3-oxo-1,2-benzothiazol-2-yl)butanamide (CID 22514992) is N-(4-methylcyclohexyl)-2-(3-oxo-1,2-benzothiazol-2-yl)butanamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-(3-oxo-1,2-benzothiazol-2-yl)butanamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-(3-oxo-1,2-benzothiazol-2-yl)butanamide is CCC(C(=O)NC1CCC(C)CC1)n1sc2ccccc2c1=O.
What is the InChIKey of N-(4-methylcyclohexyl)-2-(3-oxo-1,2-benzothiazol-2-yl)butanamide?
The InChIKey is NZLBJDMHACCKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-3-15(17(21)19-13-10-8-12(2)9-11-13)20-18(22)14-6-4-5-7-16(14)23-20/h4-7,12-13,15H,3,8-11H2,1-2H3,(H,19,21).
What are the key properties of N-(4-methylcyclohexyl)-2-(3-oxo-1,2-benzothiazol-2-yl)butanamide?
N-(4-methylcyclohexyl)-2-(3-oxo-1,2-benzothiazol-2-yl)butanamide has a molecular weight of 332.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-(3-oxo-1,2-benzothiazol-2-yl)butanamide is sourced from PubChem (CID 22514992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).