N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide

C18H17NO2S — CID 90524337

IUPACN-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCCC(O)c1cccc2ccccc12)c1cccs1
InChIInChI=1S/C18H17NO2S/c20-16(10-11-19-18(21)17-9-4-12-22-17)15-8-3-6-13-5-1-2-7-14(13)15/h1-9,12,16,20H,10-11H2,(H,19,21)
InChIKeyWCHSELGBBHXQHH-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.75
Rot. Bonds5

About N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide

N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide (PubChem CID 90524337) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide
PubChem CID90524337
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCCC(O)c1cccc2ccccc12)c1cccs1
InChIInChI=1S/C18H17NO2S/c20-16(10-11-19-18(21)17-9-4-12-22-17)15-8-3-6-13-5-1-2-7-14(13)15/h1-9,12,16,20H,10-11H2,(H,19,21)
InChIKeyWCHSELGBBHXQHH-UHFFFAOYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]thiophene-2-carboxamide
CID 41453878
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide
CID 90524323
N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide
CID 90524322
N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 25105722
N-(3-hydroxy-3-naphthalen-1-ylpropyl)cyclopropanecarboxamide
CID 71787907
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide
CID 90524453
N-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 111471983
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-3,5-bis(trifluoromethyl)benzamide
CID 121110209
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide
CID 95740854
1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea
CID 90524671
N-(3-amino-3-phenylpropyl)thiophene-2-carboxamide
CID 80506792
N-(3-hydroxy-3-naphthalen-1-ylpropyl)adamantane-1-carboxamide
CID 90524399

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide (CID 90524337) is N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide is O=C(NCCC(O)c1cccc2ccccc12)c1cccs1.
What is the InChIKey of N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide?
The InChIKey is WCHSELGBBHXQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c20-16(10-11-19-18(21)17-9-4-12-22-17)15-8-3-6-13-5-1-2-7-14(13)15/h1-9,12,16,20H,10-11H2,(H,19,21).
What are the key properties of N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide?
N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 90524337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).