methyl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate

C14H13NO3S — CID 4079571

IUPACmethyl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C14H13NO3S/c1-18-14(17)13-11(7-8-19-13)15-12(16)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,15,16)
InChIKeyYJXMVZWBSKFEBU-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.72
Rot. Bonds4

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

methyl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate (PubChem CID 4079571) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is methyl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate
PubChem CID4079571
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Namemethyl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C14H13NO3S/c1-18-14(17)13-11(7-8-19-13)15-12(16)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,15,16)
InChIKeyYJXMVZWBSKFEBU-UHFFFAOYSA-N
XLogP2.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate (CID 4079571) is methyl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)Cc1ccccc1.
What is the InChIKey of methyl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate?
The InChIKey is YJXMVZWBSKFEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-18-14(17)13-11(7-8-19-13)15-12(16)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of methyl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate?
methyl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate has a molecular weight of 275.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 4079571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).