N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methylbenzamide

C20H21N3O3S — CID 19629659

IUPACN-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methylbenzamide
SMILESCCCC(=O)Nc1nc2ccc(NC(=O)c3cccc(C)c3OC)cc2s1
InChIInChI=1S/C20H21N3O3S/c1-4-6-17(24)23-20-22-15-10-9-13(11-16(15)27-20)21-19(25)14-8-5-7-12(2)18(14)26-3/h5,7-11H,4,6H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyOUEUVEOCCOEBRM-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.60
Rot. Bonds6

About N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methylbenzamide

N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methylbenzamide (PubChem CID 19629659) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methylbenzamide
PubChem CID19629659
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methylbenzamide
SMILESCCCC(=O)Nc1nc2ccc(NC(=O)c3cccc(C)c3OC)cc2s1
InChIInChI=1S/C20H21N3O3S/c1-4-6-17(24)23-20-22-15-10-9-13(11-16(15)27-20)21-19(25)14-8-5-7-12(2)18(14)26-3/h5,7-11H,4,6H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyOUEUVEOCCOEBRM-UHFFFAOYSA-N
XLogP4.60
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide
CID 3160184
N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3-methoxybenzamide
CID 22778881
N-[6-[(2-chloroacetyl)amino]-1,3-benzothiazol-2-yl]butanamide
CID 141458638
2,6-dimethoxy-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide
CID 6457255
N-[2-(butanoylamino)-1,3-benzothiazol-5-yl]-2-fluorobenzamide
CID 46328841
N-[6-[2-(3-methylanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289861
N-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 91680673
3-bromo-N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-methoxybenzamide
CID 23100746
N-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289848
N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-chlorobenzamide
CID 22779775
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5213672

Frequently Asked Questions

What is the IUPAC name of N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methylbenzamide?
The IUPAC name of N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methylbenzamide (CID 19629659) is N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methylbenzamide.
What is the SMILES notation for N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methylbenzamide?
The canonical SMILES for N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methylbenzamide is CCCC(=O)Nc1nc2ccc(NC(=O)c3cccc(C)c3OC)cc2s1.
What is the InChIKey of N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methylbenzamide?
The InChIKey is OUEUVEOCCOEBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-4-6-17(24)23-20-22-15-10-9-13(11-16(15)27-20)21-19(25)14-8-5-7-12(2)18(14)26-3/h5,7-11H,4,6H2,1-3H3,(H,21,25)(H,22,23,24).
What are the key properties of N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methylbenzamide?
N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methylbenzamide has a molecular weight of 383.47 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methylbenzamide is sourced from PubChem (CID 19629659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).