N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-(5-chloro-2-methoxyphenyl)benzamide

C23H20ClN3O2S — CID 58727173

IUPACN-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-(5-chloro-2-methoxyphenyl)benzamide
SMILESCOc1ccc(Cl)cc1-c1ccc(C(=O)NCCNc2nsc3ccccc23)cc1
InChIInChI=1S/C23H20ClN3O2S/c1-29-20-11-10-17(24)14-19(20)15-6-8-16(9-7-15)23(28)26-13-12-25-22-18-4-2-3-5-21(18)30-27-22/h2-11,14H,12-13H2,1H3,(H,25,27)(H,26,28)
InChIKeyGJMFGQBBKKMWIG-UHFFFAOYSA-N
MW437.95 g/mol
LogP5.47
Rot. Bonds7

About N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-(5-chloro-2-methoxyphenyl)benzamide

N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-(5-chloro-2-methoxyphenyl)benzamide (PubChem CID 58727173) has the molecular formula C23H20ClN3O2S and a molecular weight of 437.95 g/mol. Its IUPAC name is N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-(5-chloro-2-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-(5-chloro-2-methoxyphenyl)benzamide
PubChem CID58727173
Molecular FormulaC23H20ClN3O2S
Molecular Weight437.95 g/mol
Exact Mass437.10
IUPAC NameN-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-(5-chloro-2-methoxyphenyl)benzamide
SMILESCOc1ccc(Cl)cc1-c1ccc(C(=O)NCCNc2nsc3ccccc23)cc1
InChIInChI=1S/C23H20ClN3O2S/c1-29-20-11-10-17(24)14-19(20)15-6-8-16(9-7-15)23(28)26-13-12-25-22-18-4-2-3-5-21(18)30-27-22/h2-11,14H,12-13H2,1H3,(H,25,27)(H,26,28)
InChIKeyGJMFGQBBKKMWIG-UHFFFAOYSA-N
XLogP5.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.95
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-(5-chloro-2-methoxyphenyl)benzamide 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-(1,2-benzothiazol-3-ylamino)ethyl]-4-chloro-3-nitrobenzamide
CID 57436330
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-2H-benzotriazole-5-carboxamide
CID 11856620
tert-butyl 2-[4-[2-(1,2-benzothiazol-3-ylamino)ethylcarbamoyl]phenoxy]acetate
CID 58726992
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-2,5-difluorobenzamide
CID 57436445
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083549
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-5-methoxy-1H-indole-2-carboxamide
CID 11853715
3-(5-chloro-2-methoxyphenyl)-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083534
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-methylpyridine-2-carboxamide
CID 11856359
1-[3-(1,2-benzothiazol-3-ylamino)propyl]-3-[4-(5-methyl-2-propan-2-yloxyphenyl)phenyl]urea
CID 58727322
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]quinoline-2-carboxamide
CID 11856362
N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide
CID 134800977
4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide
CID 49326379

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-(5-chloro-2-methoxyphenyl)benzamide?
The IUPAC name of N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-(5-chloro-2-methoxyphenyl)benzamide (CID 58727173) is N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-(5-chloro-2-methoxyphenyl)benzamide.
What is the SMILES notation for N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-(5-chloro-2-methoxyphenyl)benzamide?
The canonical SMILES for N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-(5-chloro-2-methoxyphenyl)benzamide is COc1ccc(Cl)cc1-c1ccc(C(=O)NCCNc2nsc3ccccc23)cc1.
What is the InChIKey of N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-(5-chloro-2-methoxyphenyl)benzamide?
The InChIKey is GJMFGQBBKKMWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2S/c1-29-20-11-10-17(24)14-19(20)15-6-8-16(9-7-15)23(28)26-13-12-25-22-18-4-2-3-5-21(18)30-27-22/h2-11,14H,12-13H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-(5-chloro-2-methoxyphenyl)benzamide?
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-(5-chloro-2-methoxyphenyl)benzamide has a molecular weight of 437.95 g/mol, XLogP of 5.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-(5-chloro-2-methoxyphenyl)benzamide is sourced from PubChem (CID 58727173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).