2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]acetamide

C23H29N3O3S — CID 24646425

IUPAC2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
SMILESCCN(CC)C(CNC(=O)COCc1nc2ccccc2s1)c1cccc(OC)c1
InChIInChI=1S/C23H29N3O3S/c1-4-26(5-2)20(17-9-8-10-18(13-17)28-3)14-24-22(27)15-29-16-23-25-19-11-6-7-12-21(19)30-23/h6-13,20H,4-5,14-16H2,1-3H3,(H,24,27)
InChIKeyTWSIMNAXCGTWIW-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.02
Rot. Bonds11

About 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]acetamide

2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 24646425) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID24646425
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
SMILESCCN(CC)C(CNC(=O)COCc1nc2ccccc2s1)c1cccc(OC)c1
InChIInChI=1S/C23H29N3O3S/c1-4-26(5-2)20(17-9-8-10-18(13-17)28-3)14-24-22(27)15-29-16-23-25-19-11-6-7-12-21(19)30-23/h6-13,20H,4-5,14-16H2,1-3H3,(H,24,27)
InChIKeyTWSIMNAXCGTWIW-UHFFFAOYSA-N
XLogP4.02
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide
CID 43012669
2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 24641656
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 134032752
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrimidin-5-ylacetamide
CID 119039953
2-(1,3-benzothiazol-2-ylmethoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 43012771
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 134056414
2-[2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 94014886
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 24646521
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55470741
2-(aminomethyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119837718
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 134032750

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]acetamide (CID 24646425) is 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]acetamide is CCN(CC)C(CNC(=O)COCc1nc2ccccc2s1)c1cccc(OC)c1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is TWSIMNAXCGTWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-4-26(5-2)20(17-9-8-10-18(13-17)28-3)14-24-22(27)15-29-16-23-25-19-11-6-7-12-21(19)30-23/h6-13,20H,4-5,14-16H2,1-3H3,(H,24,27).
What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]acetamide?
2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 427.57 g/mol, XLogP of 4.02, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 24646425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).