N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide

C20H15F2N3O3S2 — CID 99787381

IUPACN-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1nc2cc(F)c(F)cc2s1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H15F2N3O3S2/c1-25(30(27,28)14-7-6-12-4-2-3-5-13(12)8-14)11-19(26)24-20-23-17-9-15(21)16(22)10-18(17)29-20/h2-10H,11H2,1H3,(H,23,24,26)
InChIKeyQMMJTFKXLVIPQO-UHFFFAOYSA-N
MW447.49 g/mol
LogP3.99
Rot. Bonds5

About N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide

N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide (PubChem CID 99787381) has the molecular formula C20H15F2N3O3S2 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
PubChem CID99787381
Molecular FormulaC20H15F2N3O3S2
Molecular Weight447.49 g/mol
Exact Mass447.05
IUPAC NameN-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1nc2cc(F)c(F)cc2s1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H15F2N3O3S2/c1-25(30(27,28)14-7-6-12-4-2-3-5-13(12)8-14)11-19(26)24-20-23-17-9-15(21)16(22)10-18(17)29-20/h2-10H,11H2,1H3,(H,23,24,26)
InChIKeyQMMJTFKXLVIPQO-UHFFFAOYSA-N
XLogP3.99
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 31287787
2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide
CID 2219880
N-(5-chloro-2-pyridinyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 27161179
N-ethyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 27276320
N-(2,6-diethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2203258
N-(3,5-dichlorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 45375147
N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2202463
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 45375148
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide
CID 2202584
2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 977503
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-quinolin-3-ylacetamide
CID 18146512

Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide (CID 99787381) is N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)Nc1nc2cc(F)c(F)cc2s1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The InChIKey is QMMJTFKXLVIPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O3S2/c1-25(30(27,28)14-7-6-12-4-2-3-5-13(12)8-14)11-19(26)24-20-23-17-9-15(21)16(22)10-18(17)29-20/h2-10H,11H2,1H3,(H,23,24,26).
What are the key properties of N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide has a molecular weight of 447.49 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 99787381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).