methyl 3-[(3,4-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate

C15H16N2O5S — CID 972050

IUPACmethyl 3-[(3,4-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H16N2O5S/c1-20-11-5-4-9(8-12(11)21-2)16-15(19)17-10-6-7-23-13(10)14(18)22-3/h4-8H,1-3H3,(H2,16,17,19)
InChIKeyHVYKIPKWEJVBIE-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.20
Rot. Bonds5

About methyl 3-[(3,4-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate

methyl 3-[(3,4-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate (PubChem CID 972050) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is methyl 3-[(3,4-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3,4-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate
PubChem CID972050
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Namemethyl 3-[(3,4-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H16N2O5S/c1-20-11-5-4-9(8-12(11)21-2)16-15(19)17-10-6-7-23-13(10)14(18)22-3/h4-8H,1-3H3,(H2,16,17,19)
InChIKeyHVYKIPKWEJVBIE-UHFFFAOYSA-N
XLogP3.20
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,4-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3,4-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate (CID 972050) is methyl 3-[(3,4-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3,4-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3,4-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)Nc1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 3-[(3,4-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate?
The InChIKey is HVYKIPKWEJVBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-20-11-5-4-9(8-12(11)21-2)16-15(19)17-10-6-7-23-13(10)14(18)22-3/h4-8H,1-3H3,(H2,16,17,19).
What are the key properties of methyl 3-[(3,4-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate?
methyl 3-[(3,4-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate has a molecular weight of 336.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,4-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 972050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).