2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(4-methylsulfonylphenyl)acetamide

C17H17N3O3S2 — CID 71790247

IUPAC2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(4-methylsulfonylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1nc2ccccc2s1
InChIInChI=1S/C17H17N3O3S2/c1-20(17-19-14-5-3-4-6-15(14)24-17)11-16(21)18-12-7-9-13(10-8-12)25(2,22)23/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeyLRHVTMOOZFVLOH-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.77
Rot. Bonds5

About 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(4-methylsulfonylphenyl)acetamide

2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 71790247) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(4-methylsulfonylphenyl)acetamide
PubChem CID71790247
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC Name2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(4-methylsulfonylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1nc2ccccc2s1
InChIInChI=1S/C17H17N3O3S2/c1-20(17-19-14-5-3-4-6-15(14)24-17)11-16(21)18-12-7-9-13(10-8-12)25(2,22)23/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeyLRHVTMOOZFVLOH-UHFFFAOYSA-N
XLogP2.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide
CID 90605410
2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(4-methylsulfonylphenyl)acetamide
CID 90605928
N-(1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide
CID 90605436
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-methylsulfonylbenzamide
CID 7580125
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide
CID 90605360
2-[2-[[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 90605494
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide
CID 56765746
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)acetamide
CID 55545422
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-phenylphenyl)acetamide
CID 8802128
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-methylsulfonylbenzamide;hydrochloride
CID 44927861
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide
CID 90605517
2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 90606078

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(4-methylsulfonylphenyl)acetamide (CID 71790247) is 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(4-methylsulfonylphenyl)acetamide is CN(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1nc2ccccc2s1.
What is the InChIKey of 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is LRHVTMOOZFVLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-20(17-19-14-5-3-4-6-15(14)24-17)11-16(21)18-12-7-9-13(10-8-12)25(2,22)23/h3-10H,11H2,1-2H3,(H,18,21).
What are the key properties of 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(4-methylsulfonylphenyl)acetamide?
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 375.48 g/mol, XLogP of 2.77, 5 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-yl(methyl)amino]-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 71790247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).