N-(4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfonylacetamide

C16H14N2O3S2 — CID 1041797

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfonylacetamide
SMILESCc1csc(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C16H14N2O3S2/c1-11-9-22-16(17-11)18-15(19)10-23(20,21)14-7-6-12-4-2-3-5-13(12)8-14/h2-9H,10H2,1H3,(H,17,18,19)
InChIKeySYOWKIIOHWTYSD-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.02
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfonylacetamide

N-(4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfonylacetamide (PubChem CID 1041797) has the molecular formula C16H14N2O3S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfonylacetamide
PubChem CID1041797
Molecular FormulaC16H14N2O3S2
Molecular Weight346.43 g/mol
Exact Mass346.04
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfonylacetamide
SMILESCc1csc(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C16H14N2O3S2/c1-11-9-22-16(17-11)18-15(19)10-23(20,21)14-7-6-12-4-2-3-5-13(12)8-14/h2-9H,10H2,1H3,(H,17,18,19)
InChIKeySYOWKIIOHWTYSD-UHFFFAOYSA-N
XLogP3.02
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfonylacetamide
CID 4588547
N-(4-tert-butylphenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 4046357
N-(2,3-dimethylphenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 3892636
N-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide
CID 3938895
N-(4-bromo-3-methylphenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 3404538
2-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)acetamide
CID 3938080
3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120468
N-(3-fluorophenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 3925269
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-naphthalen-2-ylsulfonylacetamide
CID 3879904
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)sulfonylacetamide
CID 1479354
N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide
CID 17361679
2-[(4-chlorophenyl)methylsulfonyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17225204

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfonylacetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfonylacetamide (CID 1041797) is N-(4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfonylacetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfonylacetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfonylacetamide is Cc1csc(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfonylacetamide?
The InChIKey is SYOWKIIOHWTYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S2/c1-11-9-22-16(17-11)18-15(19)10-23(20,21)14-7-6-12-4-2-3-5-13(12)8-14/h2-9H,10H2,1H3,(H,17,18,19).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfonylacetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfonylacetamide has a molecular weight of 346.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfonylacetamide is sourced from PubChem (CID 1041797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).