3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(5-chloro-2-methoxyphenyl)propanamide

C19H18ClN3O3S — CID 46289407

IUPAC3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCc1ccc2nc(NC(C)=O)sc2c1
InChIInChI=1S/C19H18ClN3O3S/c1-11(24)21-19-23-14-6-3-12(9-17(14)27-19)4-8-18(25)22-15-10-13(20)5-7-16(15)26-2/h3,5-7,9-10H,4,8H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyFFQBVALVWSSLOS-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.49
Rot. Bonds6

About 3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(5-chloro-2-methoxyphenyl)propanamide

3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(5-chloro-2-methoxyphenyl)propanamide (PubChem CID 46289407) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is 3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(5-chloro-2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(5-chloro-2-methoxyphenyl)propanamide
PubChem CID46289407
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC Name3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCc1ccc2nc(NC(C)=O)sc2c1
InChIInChI=1S/C19H18ClN3O3S/c1-11(24)21-19-23-14-6-3-12(9-17(14)27-19)4-8-18(25)22-15-10-13(20)5-7-16(15)26-2/h3,5-7,9-10H,4,8H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyFFQBVALVWSSLOS-UHFFFAOYSA-N
XLogP4.49
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289506
3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(2-chloro-4,6-dimethoxyphenyl)propanamide
CID 46289428
3-(3-chloro-4-methoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 167848378
3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,5-dimethylphenyl)propanamide
CID 46289391
3-(4-aminophenyl)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 28713135
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 53269144
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 16551618
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide
CID 55769442
3-(2-acetamido-1,3-benzothiazol-6-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 92719568
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide
CID 100665009
N-(5-chloro-2-methoxyphenyl)-4-(4-methoxy-3-methylphenyl)butanamide
CID 838505
2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 708592

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(5-chloro-2-methoxyphenyl)propanamide?
The IUPAC name of 3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(5-chloro-2-methoxyphenyl)propanamide (CID 46289407) is 3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(5-chloro-2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(5-chloro-2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(5-chloro-2-methoxyphenyl)propanamide is COc1ccc(Cl)cc1NC(=O)CCc1ccc2nc(NC(C)=O)sc2c1.
What is the InChIKey of 3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(5-chloro-2-methoxyphenyl)propanamide?
The InChIKey is FFQBVALVWSSLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-11(24)21-19-23-14-6-3-12(9-17(14)27-19)4-8-18(25)22-15-10-13(20)5-7-16(15)26-2/h3,5-7,9-10H,4,8H2,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of 3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(5-chloro-2-methoxyphenyl)propanamide?
3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(5-chloro-2-methoxyphenyl)propanamide has a molecular weight of 403.89 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(5-chloro-2-methoxyphenyl)propanamide is sourced from PubChem (CID 46289407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).