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

C15H14N2O4S — CID 3762766

IUPACmethyl 3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C15H14N2O4S/c1-21-15(20)13-11(7-8-22-13)17-12(18)9-16-14(19)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyFWXNYNPDKKRPFC-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.90
Rot. Bonds5

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

methyl 3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylate (PubChem CID 3762766) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is methyl 3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylate
PubChem CID3762766
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Namemethyl 3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C15H14N2O4S/c1-21-15(20)13-11(7-8-22-13)17-12(18)9-16-14(19)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyFWXNYNPDKKRPFC-UHFFFAOYSA-N
XLogP1.90
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylate (CID 3762766) is methyl 3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of methyl 3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylate?
The InChIKey is FWXNYNPDKKRPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-21-15(20)13-11(7-8-22-13)17-12(18)9-16-14(19)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of methyl 3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylate?
methyl 3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylate has a molecular weight of 318.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-benzamidoacetyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 3762766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).