N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfonylacetamide

C21H15ClN2O3S2 — CID 4588547

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfonylacetamide
SMILESO=C(CS(=O)(=O)c1ccc2ccccc2c1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C21H15ClN2O3S2/c22-17-8-5-15(6-9-17)19-12-28-21(23-19)24-20(25)13-29(26,27)18-10-7-14-3-1-2-4-16(14)11-18/h1-12H,13H2,(H,23,24,25)
InChIKeyPTXLUFZFXCOGKP-UHFFFAOYSA-N
MW442.95 g/mol
LogP5.03
Rot. Bonds5

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfonylacetamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfonylacetamide (PubChem CID 4588547) has the molecular formula C21H15ClN2O3S2 and a molecular weight of 442.95 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfonylacetamide
PubChem CID4588547
Molecular FormulaC21H15ClN2O3S2
Molecular Weight442.95 g/mol
Exact Mass442.02
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfonylacetamide
SMILESO=C(CS(=O)(=O)c1ccc2ccccc2c1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C21H15ClN2O3S2/c22-17-8-5-15(6-9-17)19-12-28-21(23-19)24-20(25)13-29(26,27)18-10-7-14-3-1-2-4-16(14)11-18/h1-12H,13H2,(H,23,24,25)
InChIKeyPTXLUFZFXCOGKP-UHFFFAOYSA-N
XLogP5.03
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.95
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7543926
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)sulfonylacetamide
CID 1479354
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16849309
N-(4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfonylacetamide
CID 1041797
2-(4-fluorophenyl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7544713
2-chloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3513866
3-(4-chlorophenyl)sulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide
CID 44994731
2-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 22584795
1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 16827761
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 7295218
3-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 16910434
2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3973055

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfonylacetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfonylacetamide (CID 4588547) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfonylacetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfonylacetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfonylacetamide is O=C(CS(=O)(=O)c1ccc2ccccc2c1)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfonylacetamide?
The InChIKey is PTXLUFZFXCOGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O3S2/c22-17-8-5-15(6-9-17)19-12-28-21(23-19)24-20(25)13-29(26,27)18-10-7-14-3-1-2-4-16(14)11-18/h1-12H,13H2,(H,23,24,25).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfonylacetamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfonylacetamide has a molecular weight of 442.95 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfonylacetamide is sourced from PubChem (CID 4588547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).