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

C20H23N3O3S — CID 9192067

IUPACN-(4-tert-butylphenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(C(C)(C)C)cc1)C1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C20H23N3O3S/c1-20(2,3)14-9-11-15(12-10-14)21-18(24)13-23(4)19-16-7-5-6-8-17(16)27(25,26)22-19/h5-12H,13H2,1-4H3,(H,21,24)
InChIKeyOHYHESHOFRVJGE-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.00
Rot. Bonds3

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

N-(4-tert-butylphenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetamide (PubChem CID 9192067) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetamide
PubChem CID9192067
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-(4-tert-butylphenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(C(C)(C)C)cc1)C1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C20H23N3O3S/c1-20(2,3)14-9-11-15(12-10-14)21-18(24)13-23(4)19-16-7-5-6-8-17(16)27(25,26)22-19/h5-12H,13H2,1-4H3,(H,21,24)
InChIKeyOHYHESHOFRVJGE-UHFFFAOYSA-N
XLogP3.00
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(9H-fluoren-3-yl)acetamide
CID 9378366
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 51204936
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
CID 17458386
N-butan-2-yl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetamide
CID 78811773
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
[2-(methylamino)-2-oxoethyl] 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetate
CID 8519816
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N,N-diethylacetamide
CID 51160041
[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetate
CID 8519913
N'-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetyl]-2-fluorobenzohydrazide
CID 9274474
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetamide
CID 8938230
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 9482296

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetamide (CID 9192067) is N-(4-tert-butylphenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetamide is CN(CC(=O)Nc1ccc(C(C)(C)C)cc1)C1=NS(=O)(=O)c2ccccc21.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetamide?
The InChIKey is OHYHESHOFRVJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-20(2,3)14-9-11-15(12-10-14)21-18(24)13-23(4)19-16-7-5-6-8-17(16)27(25,26)22-19/h5-12H,13H2,1-4H3,(H,21,24).
What are the key properties of N-(4-tert-butylphenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetamide?
N-(4-tert-butylphenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetamide has a molecular weight of 385.49 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetamide is sourced from PubChem (CID 9192067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).