2-N-(2-hydroxy-2-naphthalen-2-ylethyl)thiophene-2,4-dicarboxamide

C18H16N2O3S — CID 111112103

IUPAC2-N-(2-hydroxy-2-naphthalen-2-ylethyl)thiophene-2,4-dicarboxamide
SMILESNC(=O)c1csc(C(=O)NCC(O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C18H16N2O3S/c19-17(22)14-8-16(24-10-14)18(23)20-9-15(21)13-6-5-11-3-1-2-4-12(11)7-13/h1-8,10,15,21H,9H2,(H2,19,22)(H,20,23)
InChIKeyLZYHXMGCCOGMDF-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.46
Rot. Bonds5

About 2-N-(2-hydroxy-2-naphthalen-2-ylethyl)thiophene-2,4-dicarboxamide

2-N-(2-hydroxy-2-naphthalen-2-ylethyl)thiophene-2,4-dicarboxamide (PubChem CID 111112103) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-N-(2-hydroxy-2-naphthalen-2-ylethyl)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-hydroxy-2-naphthalen-2-ylethyl)thiophene-2,4-dicarboxamide
PubChem CID111112103
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name2-N-(2-hydroxy-2-naphthalen-2-ylethyl)thiophene-2,4-dicarboxamide
SMILESNC(=O)c1csc(C(=O)NCC(O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C18H16N2O3S/c19-17(22)14-8-16(24-10-14)18(23)20-9-15(21)13-6-5-11-3-1-2-4-12(11)7-13/h1-8,10,15,21H,9H2,(H2,19,22)(H,20,23)
InChIKeyLZYHXMGCCOGMDF-UHFFFAOYSA-N
XLogP2.46
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
N-(2-hydroxy-2-naphthalen-2-ylethyl)-6-methylsulfanylpyridine-3-carboxamide
CID 111112175
5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide
CID 106237033
N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-5-carboxamide
CID 97227601
N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
CID 111112240
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2,6-dimethylpyridine-3-carboxamide
CID 56785820
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 95618415
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-(4-methoxyphenyl)acetamide
CID 56785818
1-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119281081
2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
CID 120989475
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]naphthalene-2-carboxamide
CID 90581445
N-(2-hydroxy-2-naphthalen-2-ylethyl)oxane-4-carboxamide
CID 111112227

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-hydroxy-2-naphthalen-2-ylethyl)thiophene-2,4-dicarboxamide?
The IUPAC name of 2-N-(2-hydroxy-2-naphthalen-2-ylethyl)thiophene-2,4-dicarboxamide (CID 111112103) is 2-N-(2-hydroxy-2-naphthalen-2-ylethyl)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2-hydroxy-2-naphthalen-2-ylethyl)thiophene-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2-hydroxy-2-naphthalen-2-ylethyl)thiophene-2,4-dicarboxamide is NC(=O)c1csc(C(=O)NCC(O)c2ccc3ccccc3c2)c1.
What is the InChIKey of 2-N-(2-hydroxy-2-naphthalen-2-ylethyl)thiophene-2,4-dicarboxamide?
The InChIKey is LZYHXMGCCOGMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c19-17(22)14-8-16(24-10-14)18(23)20-9-15(21)13-6-5-11-3-1-2-4-12(11)7-13/h1-8,10,15,21H,9H2,(H2,19,22)(H,20,23).
What are the key properties of 2-N-(2-hydroxy-2-naphthalen-2-ylethyl)thiophene-2,4-dicarboxamide?
2-N-(2-hydroxy-2-naphthalen-2-ylethyl)thiophene-2,4-dicarboxamide has a molecular weight of 340.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-hydroxy-2-naphthalen-2-ylethyl)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 111112103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).