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

C23H20N2OS2 — CID 4038932

IUPACN-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-phenylsulfanylbutanamide
SMILESO=C(CCCSc1ccccc1)Nc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C23H20N2OS2/c26-22(14-7-15-27-18-10-2-1-3-11-18)25-23-24-21(16-28-23)20-13-6-9-17-8-4-5-12-19(17)20/h1-6,8-13,16H,7,14-15H2,(H,24,25,26)
InChIKeyLGYMPWRJWUDYIT-UHFFFAOYSA-N
MW404.56 g/mol
LogP6.47
Rot. Bonds7

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

N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-phenylsulfanylbutanamide (PubChem CID 4038932) has the molecular formula C23H20N2OS2 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-phenylsulfanylbutanamide.

Molecular Properties

Compound NameN-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-phenylsulfanylbutanamide
PubChem CID4038932
Molecular FormulaC23H20N2OS2
Molecular Weight404.56 g/mol
Exact Mass404.10
IUPAC NameN-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-phenylsulfanylbutanamide
SMILESO=C(CCCSc1ccccc1)Nc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C23H20N2OS2/c26-22(14-7-15-27-18-10-2-1-3-11-18)25-23-24-21(16-28-23)20-13-6-9-17-8-4-5-12-19(17)20/h1-6,8-13,16H,7,14-15H2,(H,24,25,26)
InChIKeyLGYMPWRJWUDYIT-UHFFFAOYSA-N
XLogP6.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(benzenesulfonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butanamide
CID 41273052
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-phenylsulfanylbutanamide
CID 18585565
2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
CID 4038077
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
CID 23774938
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-phenylsulfanylpropanamide
CID 4185251
4-(4-fluorophenyl)sulfanyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 41086951
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfanylbutanamide
CID 8702534
2-[2-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamoyl]phenyl]benzoic acid
CID 3228346
4-(4-methylphenyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 41086076
2-(2-chlorophenoxy)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
CID 7917567
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 4117062
4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
CID 694785

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-phenylsulfanylbutanamide?
The IUPAC name of N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-phenylsulfanylbutanamide (CID 4038932) is N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-phenylsulfanylbutanamide.
What is the SMILES notation for N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-phenylsulfanylbutanamide?
The canonical SMILES for N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-phenylsulfanylbutanamide is O=C(CCCSc1ccccc1)Nc1nc(-c2cccc3ccccc23)cs1.
What is the InChIKey of N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-phenylsulfanylbutanamide?
The InChIKey is LGYMPWRJWUDYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS2/c26-22(14-7-15-27-18-10-2-1-3-11-18)25-23-24-21(16-28-23)20-13-6-9-17-8-4-5-12-19(17)20/h1-6,8-13,16H,7,14-15H2,(H,24,25,26).
What are the key properties of N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-phenylsulfanylbutanamide?
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-phenylsulfanylbutanamide has a molecular weight of 404.56 g/mol, XLogP of 6.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-phenylsulfanylbutanamide is sourced from PubChem (CID 4038932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).