2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide

C24H23N3O5S — CID 17458386

IUPAC2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
SMILESCOc1ccc(-c2cc(NC(=O)CN(C)C3=NS(=O)(=O)c4ccccc43)ccc2OC)cc1
InChIInChI=1S/C24H23N3O5S/c1-27(24-19-6-4-5-7-22(19)33(29,30)26-24)15-23(28)25-17-10-13-21(32-3)20(14-17)16-8-11-18(31-2)12-9-16/h4-14H,15H2,1-3H3,(H,25,28)
InChIKeyAZZCEAKBGGJEGC-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.39
Rot. Bonds6

About 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide (PubChem CID 17458386) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
PubChem CID17458386
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC Name2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
SMILESCOc1ccc(-c2cc(NC(=O)CN(C)C3=NS(=O)(=O)c4ccccc43)ccc2OC)cc1
InChIInChI=1S/C24H23N3O5S/c1-27(24-19-6-4-5-7-22(19)33(29,30)26-24)15-23(28)25-17-10-13-21(32-3)20(14-17)16-8-11-18(31-2)12-9-16/h4-14H,15H2,1-3H3,(H,25,28)
InChIKeyAZZCEAKBGGJEGC-UHFFFAOYSA-N
XLogP3.39
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 55748872
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(9H-fluoren-3-yl)acetamide
CID 9378366
N-(4-tert-butylphenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetamide
CID 9192067
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 31420244
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(2-ethoxyphenyl)acetamide
CID 40714582
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetate
CID 8519867
4-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]butanamide
CID 135798342
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 51204936
[2-(methylamino)-2-oxoethyl] 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetate
CID 8519816
[2-(3-fluoroanilino)-2-oxoethyl] 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetate
CID 8519819
2-(4-ethoxyphenoxy)-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
CID 8745409
2-(3-fluorophenyl)-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
CID 8745498

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide?
The IUPAC name of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide (CID 17458386) is 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide.
What is the SMILES notation for 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide?
The canonical SMILES for 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide is COc1ccc(-c2cc(NC(=O)CN(C)C3=NS(=O)(=O)c4ccccc43)ccc2OC)cc1.
What is the InChIKey of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide?
The InChIKey is AZZCEAKBGGJEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-27(24-19-6-4-5-7-22(19)33(29,30)26-24)15-23(28)25-17-10-13-21(32-3)20(14-17)16-8-11-18(31-2)12-9-16/h4-14H,15H2,1-3H3,(H,25,28).
What are the key properties of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide?
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide has a molecular weight of 465.53 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide is sourced from PubChem (CID 17458386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).