methyl 5-[5-[(2-phenylacetyl)amino]-2-pyridinyl]thiophene-2-carboxylate

C19H16N2O3S — CID 58657291

IUPACmethyl 5-[5-[(2-phenylacetyl)amino]-2-pyridinyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(NC(=O)Cc3ccccc3)cn2)s1
InChIInChI=1S/C19H16N2O3S/c1-24-19(23)17-10-9-16(25-17)15-8-7-14(12-20-15)21-18(22)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,21,22)
InChIKeyBNDLXDOQBRWMMF-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.78
Rot. Bonds5

About methyl 5-[5-[(2-phenylacetyl)amino]-2-pyridinyl]thiophene-2-carboxylate

methyl 5-[5-[(2-phenylacetyl)amino]-2-pyridinyl]thiophene-2-carboxylate (PubChem CID 58657291) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is methyl 5-[5-[(2-phenylacetyl)amino]-2-pyridinyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[5-[(2-phenylacetyl)amino]-2-pyridinyl]thiophene-2-carboxylate
PubChem CID58657291
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Namemethyl 5-[5-[(2-phenylacetyl)amino]-2-pyridinyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(NC(=O)Cc3ccccc3)cn2)s1
InChIInChI=1S/C19H16N2O3S/c1-24-19(23)17-10-9-16(25-17)15-8-7-14(12-20-15)21-18(22)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,21,22)
InChIKeyBNDLXDOQBRWMMF-UHFFFAOYSA-N
XLogP3.78
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[5-[(2-phenylacetyl)amino]-2-pyridinyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[5-[(2-phenylacetyl)amino]-2-pyridinyl]thiophene-2-carboxylate (CID 58657291) is methyl 5-[5-[(2-phenylacetyl)amino]-2-pyridinyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[5-[(2-phenylacetyl)amino]-2-pyridinyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[5-[(2-phenylacetyl)amino]-2-pyridinyl]thiophene-2-carboxylate is COC(=O)c1ccc(-c2ccc(NC(=O)Cc3ccccc3)cn2)s1.
What is the InChIKey of methyl 5-[5-[(2-phenylacetyl)amino]-2-pyridinyl]thiophene-2-carboxylate?
The InChIKey is BNDLXDOQBRWMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-24-19(23)17-10-9-16(25-17)15-8-7-14(12-20-15)21-18(22)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,21,22).
What are the key properties of methyl 5-[5-[(2-phenylacetyl)amino]-2-pyridinyl]thiophene-2-carboxylate?
methyl 5-[5-[(2-phenylacetyl)amino]-2-pyridinyl]thiophene-2-carboxylate has a molecular weight of 352.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[5-[(2-phenylacetyl)amino]-2-pyridinyl]thiophene-2-carboxylate is sourced from PubChem (CID 58657291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).