N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]naphthalene-1-carboxamide

C23H19NO2S — CID 121134132

IUPACN-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]naphthalene-1-carboxamide
SMILESO=C(NCc1ccc(C(O)c2ccccc2)s1)c1cccc2ccccc12
InChIInChI=1S/C23H19NO2S/c25-22(17-8-2-1-3-9-17)21-14-13-18(27-21)15-24-23(26)20-12-6-10-16-7-4-5-11-19(16)20/h1-14,22,25H,15H2,(H,24,26)
InChIKeyHNOGLMZJVJGHIM-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.91
Rot. Bonds5

About N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]naphthalene-1-carboxamide

N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]naphthalene-1-carboxamide (PubChem CID 121134132) has the molecular formula C23H19NO2S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]naphthalene-1-carboxamide
PubChem CID121134132
Molecular FormulaC23H19NO2S
Molecular Weight373.48 g/mol
Exact Mass373.11
IUPAC NameN-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]naphthalene-1-carboxamide
SMILESO=C(NCc1ccc(C(O)c2ccccc2)s1)c1cccc2ccccc12
InChIInChI=1S/C23H19NO2S/c25-22(17-8-2-1-3-9-17)21-14-13-18(27-21)15-24-23(26)20-12-6-10-16-7-4-5-11-19(16)20/h1-14,22,25H,15H2,(H,24,26)
InChIKeyHNOGLMZJVJGHIM-UHFFFAOYSA-N
XLogP4.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethylbenzamide
CID 121134099
5-bromo-2-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
CID 121134203
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 121134188
methyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate
CID 121134072
2-cyclopentyl-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide
CID 99882758
5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide
CID 121134157
3,4-difluoro-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
CID 99981817
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-naphthalen-1-ylacetamide
CID 90583516
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methylthiophene-2-carboxamide
CID 121134090
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-phenylbutanamide
CID 121134118
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzamide
CID 86264191
N'-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N-prop-2-enyloxamide
CID 121134301

Frequently Asked Questions

What is the IUPAC name of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]naphthalene-1-carboxamide (CID 121134132) is N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]naphthalene-1-carboxamide is O=C(NCc1ccc(C(O)c2ccccc2)s1)c1cccc2ccccc12.
What is the InChIKey of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is HNOGLMZJVJGHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2S/c25-22(17-8-2-1-3-9-17)21-14-13-18(27-21)15-24-23(26)20-12-6-10-16-7-4-5-11-19(16)20/h1-14,22,25H,15H2,(H,24,26).
What are the key properties of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]naphthalene-1-carboxamide?
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 121134132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).