N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-chlorophenoxy)butanamide

C17H14Cl2N2O2S — CID 108761864

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-chlorophenoxy)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C17H14Cl2N2O2S/c18-11-3-6-13(7-4-11)23-9-1-2-16(22)21-17-20-14-8-5-12(19)10-15(14)24-17/h3-8,10H,1-2,9H2,(H,20,21,22)
InChIKeyVKDNVOPHCMBOEE-UHFFFAOYSA-N
MW381.28 g/mol
LogP5.40
Rot. Bonds6

About N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-chlorophenoxy)butanamide

N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-chlorophenoxy)butanamide (PubChem CID 108761864) has the molecular formula C17H14Cl2N2O2S and a molecular weight of 381.28 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-chlorophenoxy)butanamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-chlorophenoxy)butanamide
PubChem CID108761864
Molecular FormulaC17H14Cl2N2O2S
Molecular Weight381.28 g/mol
Exact Mass380.02
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-chlorophenoxy)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C17H14Cl2N2O2S/c18-11-3-6-13(7-4-11)23-9-1-2-16(22)21-17-20-14-8-5-12(19)10-15(14)24-17/h3-8,10H,1-2,9H2,(H,20,21,22)
InChIKeyVKDNVOPHCMBOEE-UHFFFAOYSA-N
XLogP5.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.28
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-chlorophenoxy)butanamide 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-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 108761865
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-methylphenoxy)butanamide
CID 108761854
4-(4-tert-butylphenoxy)-N-(6-chloro-1,3-benzothiazol-2-yl)butanamide
CID 7942434
3-(4-chlorophenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 108747725
6-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-oxohexanoic acid
CID 43529458
N-(6-chloro-1,3-benzothiazol-2-yl)-2-[4-(3-methylbutoxy)phenoxy]acetamide
CID 4732911
4-(4-bromophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 7919920
4-chloro-N-[6-(2-methoxyethoxy)-1,3-benzothiazol-2-yl]butanamide
CID 17244938
4-(4-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 2547257
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenoxy)propanamide
CID 108802384
N-(6-chloro-1,3-benzothiazol-2-yl)-4-hexoxybenzamide
CID 18854021
4-(4-chlorophenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide
CID 19218842

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-chlorophenoxy)butanamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-chlorophenoxy)butanamide (CID 108761864) is N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-chlorophenoxy)butanamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-chlorophenoxy)butanamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-chlorophenoxy)butanamide is O=C(CCCOc1ccc(Cl)cc1)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-chlorophenoxy)butanamide?
The InChIKey is VKDNVOPHCMBOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2S/c18-11-3-6-13(7-4-11)23-9-1-2-16(22)21-17-20-14-8-5-12(19)10-15(14)24-17/h3-8,10H,1-2,9H2,(H,20,21,22).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-chlorophenoxy)butanamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-chlorophenoxy)butanamide has a molecular weight of 381.28 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-chlorophenoxy)butanamide is sourced from PubChem (CID 108761864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).