methyl 3-[(2-naphthalen-2-ylacetyl)amino]thiophene-2-carboxylate

C18H15NO3S — CID 26704995

IUPACmethyl 3-[(2-naphthalen-2-ylacetyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H15NO3S/c1-22-18(21)17-15(8-9-23-17)19-16(20)11-12-6-7-13-4-2-3-5-14(13)10-12/h2-10H,11H2,1H3,(H,19,20)
InChIKeyCDKKUYMXRKJKHI-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.87
Rot. Bonds4

About methyl 3-[(2-naphthalen-2-ylacetyl)amino]thiophene-2-carboxylate

methyl 3-[(2-naphthalen-2-ylacetyl)amino]thiophene-2-carboxylate (PubChem CID 26704995) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is methyl 3-[(2-naphthalen-2-ylacetyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-naphthalen-2-ylacetyl)amino]thiophene-2-carboxylate
PubChem CID26704995
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Namemethyl 3-[(2-naphthalen-2-ylacetyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H15NO3S/c1-22-18(21)17-15(8-9-23-17)19-16(20)11-12-6-7-13-4-2-3-5-14(13)10-12/h2-10H,11H2,1H3,(H,19,20)
InChIKeyCDKKUYMXRKJKHI-UHFFFAOYSA-N
XLogP3.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-naphthalen-2-ylacetyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-naphthalen-2-ylacetyl)amino]thiophene-2-carboxylate (CID 26704995) is methyl 3-[(2-naphthalen-2-ylacetyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-naphthalen-2-ylacetyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-naphthalen-2-ylacetyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of methyl 3-[(2-naphthalen-2-ylacetyl)amino]thiophene-2-carboxylate?
The InChIKey is CDKKUYMXRKJKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-22-18(21)17-15(8-9-23-17)19-16(20)11-12-6-7-13-4-2-3-5-14(13)10-12/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of methyl 3-[(2-naphthalen-2-ylacetyl)amino]thiophene-2-carboxylate?
methyl 3-[(2-naphthalen-2-ylacetyl)amino]thiophene-2-carboxylate has a molecular weight of 325.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-naphthalen-2-ylacetyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 26704995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).