N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide

C15H13N3O3S2 — CID 146763683

IUPACN-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cccc2c(S(=O)(=O)Nc3nccs3)cccc12
InChIInChI=1S/C15H13N3O3S2/c1-10(19)17-13-6-2-5-12-11(13)4-3-7-14(12)23(20,21)18-15-16-8-9-22-15/h2-9H,1H3,(H,16,18)(H,17,19)
InChIKeyOAAQNHOLRZBRFK-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.06
Rot. Bonds4

About N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide

N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide (PubChem CID 146763683) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide
PubChem CID146763683
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC NameN-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cccc2c(S(=O)(=O)Nc3nccs3)cccc12
InChIInChI=1S/C15H13N3O3S2/c1-10(19)17-13-6-2-5-12-11(13)4-3-7-14(12)23(20,21)18-15-16-8-9-22-15/h2-9H,1H3,(H,16,18)(H,17,19)
InChIKeyOAAQNHOLRZBRFK-UHFFFAOYSA-N
XLogP3.06
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 55044038
5-amino-N-(1,3-thiazol-2-yl)naphthalene-1-sulfonamide;2-indol-1-yl-N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]propanamide
CID 162229947
2-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87483084
3-(methylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 115993249
5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 71972231
2-amino-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62148610
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
2-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031858
chloro 5-acetamidonaphthalene-1-sulfonate
CID 141053746
8-amino-N-(1,3-thiazol-2-yl)quinoline-5-sulfonamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide
CID 159233782
2-chloro-3-[(2-hydroxy-1-phenylethyl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 175233072
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide?
The IUPAC name of N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide (CID 146763683) is N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide.
What is the SMILES notation for N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide?
The canonical SMILES for N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide is CC(=O)Nc1cccc2c(S(=O)(=O)Nc3nccs3)cccc12.
What is the InChIKey of N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide?
The InChIKey is OAAQNHOLRZBRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S2/c1-10(19)17-13-6-2-5-12-11(13)4-3-7-14(12)23(20,21)18-15-16-8-9-22-15/h2-9H,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide?
N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide is sourced from PubChem (CID 146763683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).