2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide

C19H21N3O4S — CID 55748872

IUPAC2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(NC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C19H21N3O4S/c1-13(2)26-15-10-8-14(9-11-15)20-18(23)12-22(3)19-16-6-4-5-7-17(16)27(24,25)21-19/h4-11,13H,12H2,1-3H3,(H,20,23)
InChIKeySSOPBKOJEZTJFF-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.49
Rot. Bonds5

About 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 55748872) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide
PubChem CID55748872
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(NC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C19H21N3O4S/c1-13(2)26-15-10-8-14(9-11-15)20-18(23)12-22(3)19-16-6-4-5-7-17(16)27(24,25)21-19/h4-11,13H,12H2,1-3H3,(H,20,23)
InChIKeySSOPBKOJEZTJFF-UHFFFAOYSA-N
XLogP2.49
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
CID 17458386
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(9H-fluoren-3-yl)acetamide
CID 9378366
[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetate
CID 8519913
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 9482296
[2-(methylamino)-2-oxoethyl] 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetate
CID 8519816
N-(1-amino-4-methylpentan-2-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetamide;hydrochloride
CID 119586031
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-pentylacetamide
CID 29196301
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 40714516
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetamide
CID 51204816
N-(1-aminopropan-2-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-methylacetamide;hydrochloride
CID 119582023
N'-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetyl]-2-fluorobenzohydrazide
CID 9274474

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide (CID 55748872) is 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccc(NC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1.
What is the InChIKey of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is SSOPBKOJEZTJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-13(2)26-15-10-8-14(9-11-15)20-18(23)12-22(3)19-16-6-4-5-7-17(16)27(24,25)21-19/h4-11,13H,12H2,1-3H3,(H,20,23).
What are the key properties of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide?
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 387.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 55748872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).