2-[[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide

C22H26N4O3S — CID 78818021

IUPAC2-[[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)CC(=O)N(CC)c1nc2ccccc2s1
InChIInChI=1S/C22H26N4O3S/c1-4-25(14-20(27)23-16-9-8-10-17(13-16)29-3)15-21(28)26(5-2)22-24-18-11-6-7-12-19(18)30-22/h6-13H,4-5,14-15H2,1-3H3,(H,23,27)
InChIKeyLCHCZHUFAOYZHT-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.62
Rot. Bonds9

About 2-[[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide

2-[[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 78818021) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-[[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID78818021
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name2-[[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)CC(=O)N(CC)c1nc2ccccc2s1
InChIInChI=1S/C22H26N4O3S/c1-4-25(14-20(27)23-16-9-8-10-17(13-16)29-3)15-21(28)26(5-2)22-24-18-11-6-7-12-19(18)30-22/h6-13H,4-5,14-15H2,1-3H3,(H,23,27)
InChIKeyLCHCZHUFAOYZHT-UHFFFAOYSA-N
XLogP3.62
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide with MolForge

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Related Compounds

methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674332
2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 34434223
ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674331
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006
2-[ethyl-[2-[2-methoxy-N-(2,2,2-trifluoroethyl)anilino]-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 34437207
[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 28569671
2-[N-(1,3-benzothiazol-2-yl)-3-methoxyanilino]-N-(4-bromo-3-methylphenyl)acetamide
CID 4847324
N-cyclopropyl-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 34434295
2-[ethyl-[2-oxo-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 55832516
[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 30566373
4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 9025684
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9030983

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide (CID 78818021) is 2-[[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide is CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)N(CC)c1nc2ccccc2s1.
What is the InChIKey of 2-[[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is LCHCZHUFAOYZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-4-25(14-20(27)23-16-9-8-10-17(13-16)29-3)15-21(28)26(5-2)22-24-18-11-6-7-12-19(18)30-22/h6-13H,4-5,14-15H2,1-3H3,(H,23,27).
What are the key properties of 2-[[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
2-[[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 426.54 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 78818021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).