N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-methylbenzamide

C18H17N3O3S — CID 17479319

IUPACN-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-methylbenzamide
SMILESCOc1ccc2nc(NC(=O)CNC(=O)c3ccc(C)cc3)sc2c1
InChIInChI=1S/C18H17N3O3S/c1-11-3-5-12(6-4-11)17(23)19-10-16(22)21-18-20-14-8-7-13(24-2)9-15(14)25-18/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyFPPDNVRPTQOZSK-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.98
Rot. Bonds5

About N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-methylbenzamide

N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-methylbenzamide (PubChem CID 17479319) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-methylbenzamide
PubChem CID17479319
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-methylbenzamide
SMILESCOc1ccc2nc(NC(=O)CNC(=O)c3ccc(C)cc3)sc2c1
InChIInChI=1S/C18H17N3O3S/c1-11-3-5-12(6-4-11)17(23)19-10-16(22)21-18-20-14-8-7-13(24-2)9-15(14)25-18/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyFPPDNVRPTQOZSK-UHFFFAOYSA-N
XLogP2.98
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-methylbenzamide with MolForge

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Related Compounds

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-6-oxo-1-phenylpyridine-3-carboxamide
CID 71600843
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19173855
2,4-difluoro-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 24597030
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7545140
4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide
CID 19213723
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146
[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate
CID 23831468
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 142948743

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-methylbenzamide (CID 17479319) is N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-methylbenzamide is COc1ccc2nc(NC(=O)CNC(=O)c3ccc(C)cc3)sc2c1.
What is the InChIKey of N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is FPPDNVRPTQOZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11-3-5-12(6-4-11)17(23)19-10-16(22)21-18-20-14-8-7-13(24-2)9-15(14)25-18/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-methylbenzamide?
N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 355.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 17479319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).