4-benzylsulfanyl-1-hydroxy-N-phenylnaphthalene-2-carboxamide

C24H19NO2S — CID 54499708

IUPAC4-benzylsulfanyl-1-hydroxy-N-phenylnaphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(SCc2ccccc2)c2ccccc2c1O
InChIInChI=1S/C24H19NO2S/c26-23-20-14-8-7-13-19(20)22(28-16-17-9-3-1-4-10-17)15-21(23)24(27)25-18-11-5-2-6-12-18/h1-15,26H,16H2,(H,25,27)
InChIKeyYBOUDSUYTLFNRI-UHFFFAOYSA-N
MW385.49 g/mol
LogP6.09
Rot. Bonds5

About 4-benzylsulfanyl-1-hydroxy-N-phenylnaphthalene-2-carboxamide

4-benzylsulfanyl-1-hydroxy-N-phenylnaphthalene-2-carboxamide (PubChem CID 54499708) has the molecular formula C24H19NO2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-benzylsulfanyl-1-hydroxy-N-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-benzylsulfanyl-1-hydroxy-N-phenylnaphthalene-2-carboxamide
PubChem CID54499708
Molecular FormulaC24H19NO2S
Molecular Weight385.49 g/mol
Exact Mass385.11
IUPAC Name4-benzylsulfanyl-1-hydroxy-N-phenylnaphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(SCc2ccccc2)c2ccccc2c1O
InChIInChI=1S/C24H19NO2S/c26-23-20-14-8-7-13-19(20)22(28-16-17-9-3-1-4-10-17)15-21(23)24(27)25-18-11-5-2-6-12-18/h1-15,26H,16H2,(H,25,27)
InChIKeyYBOUDSUYTLFNRI-UHFFFAOYSA-N
XLogP6.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-N,4-diphenylnaphthalene-2-carboxamide
CID 141440048
2-benzylsulfanyl-N-(4-chlorophenyl)benzamide
CID 1313702
3-[4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]sulfanylpropanoic acid
CID 23556561
3-benzylsulfanyl-2-chloro-N-phenylpyridine-4-carboxamide
CID 10360816
2-benzylsulfanyl-N-(3-prop-2-enoxyphenyl)benzamide
CID 19062837
2-(hydroxymethyl)-N-phenylbenzamide
CID 14198283
potassium [2-benzylsulfanyl-4-chloro-5-[(4-fluorophenyl)carbamoyl]phenyl]sulfonyl-cyanoazanide
CID 23715654
2-methylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 2233430
4-benzylsulfanyl-2,6-dinitro-N-phenylbenzamide
CID 10835328
4-benzylsulfanyl-2-chloro-N-(4-chlorophenyl)-5-[(4-methylquinazolin-2-yl)sulfamoyl]benzamide
CID 134693596
N-(3-bromophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 23093858
2-hydroxy-N-phenylbenzamide
CID 157209959

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-1-hydroxy-N-phenylnaphthalene-2-carboxamide?
The IUPAC name of 4-benzylsulfanyl-1-hydroxy-N-phenylnaphthalene-2-carboxamide (CID 54499708) is 4-benzylsulfanyl-1-hydroxy-N-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for 4-benzylsulfanyl-1-hydroxy-N-phenylnaphthalene-2-carboxamide?
The canonical SMILES for 4-benzylsulfanyl-1-hydroxy-N-phenylnaphthalene-2-carboxamide is O=C(Nc1ccccc1)c1cc(SCc2ccccc2)c2ccccc2c1O.
What is the InChIKey of 4-benzylsulfanyl-1-hydroxy-N-phenylnaphthalene-2-carboxamide?
The InChIKey is YBOUDSUYTLFNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2S/c26-23-20-14-8-7-13-19(20)22(28-16-17-9-3-1-4-10-17)15-21(23)24(27)25-18-11-5-2-6-12-18/h1-15,26H,16H2,(H,25,27).
What are the key properties of 4-benzylsulfanyl-1-hydroxy-N-phenylnaphthalene-2-carboxamide?
4-benzylsulfanyl-1-hydroxy-N-phenylnaphthalene-2-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 6.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-1-hydroxy-N-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 54499708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).