3-methoxy-N-(1-naphthalen-1-ylcyclopropyl)thiophene-2-carboxamide

C19H17NO2S — CID 110445995

IUPAC3-methoxy-N-(1-naphthalen-1-ylcyclopropyl)thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NC1(c2cccc3ccccc23)CC1
InChIInChI=1S/C19H17NO2S/c1-22-16-9-12-23-17(16)18(21)20-19(10-11-19)15-8-4-6-13-5-2-3-7-14(13)15/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyIDNDNGJPYOXTDS-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.33
Rot. Bonds4

About 3-methoxy-N-(1-naphthalen-1-ylcyclopropyl)thiophene-2-carboxamide

3-methoxy-N-(1-naphthalen-1-ylcyclopropyl)thiophene-2-carboxamide (PubChem CID 110445995) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-methoxy-N-(1-naphthalen-1-ylcyclopropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(1-naphthalen-1-ylcyclopropyl)thiophene-2-carboxamide
PubChem CID110445995
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name3-methoxy-N-(1-naphthalen-1-ylcyclopropyl)thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NC1(c2cccc3ccccc23)CC1
InChIInChI=1S/C19H17NO2S/c1-22-16-9-12-23-17(16)18(21)20-19(10-11-19)15-8-4-6-13-5-2-3-7-14(13)15/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyIDNDNGJPYOXTDS-UHFFFAOYSA-N
XLogP4.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(1-naphthalen-1-ylcyclopropyl)thiophene-2-carboxamide?
The IUPAC name of 3-methoxy-N-(1-naphthalen-1-ylcyclopropyl)thiophene-2-carboxamide (CID 110445995) is 3-methoxy-N-(1-naphthalen-1-ylcyclopropyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-(1-naphthalen-1-ylcyclopropyl)thiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-(1-naphthalen-1-ylcyclopropyl)thiophene-2-carboxamide is COc1ccsc1C(=O)NC1(c2cccc3ccccc23)CC1.
What is the InChIKey of 3-methoxy-N-(1-naphthalen-1-ylcyclopropyl)thiophene-2-carboxamide?
The InChIKey is IDNDNGJPYOXTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-22-16-9-12-23-17(16)18(21)20-19(10-11-19)15-8-4-6-13-5-2-3-7-14(13)15/h2-9,12H,10-11H2,1H3,(H,20,21).
What are the key properties of 3-methoxy-N-(1-naphthalen-1-ylcyclopropyl)thiophene-2-carboxamide?
3-methoxy-N-(1-naphthalen-1-ylcyclopropyl)thiophene-2-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(1-naphthalen-1-ylcyclopropyl)thiophene-2-carboxamide is sourced from PubChem (CID 110445995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).