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

C14H14N2O4S — CID 24818490

IUPACmethyl 3-[(4-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C14H14N2O4S/c1-19-10-5-3-9(4-6-10)15-14(18)16-11-7-8-21-12(11)13(17)20-2/h3-8H,1-2H3,(H2,15,16,18)
InChIKeyUSCYISVHGLJBMO-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.19
Rot. Bonds4

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

methyl 3-[(4-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate (PubChem CID 24818490) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is methyl 3-[(4-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate
PubChem CID24818490
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Namemethyl 3-[(4-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C14H14N2O4S/c1-19-10-5-3-9(4-6-10)15-14(18)16-11-7-8-21-12(11)13(17)20-2/h3-8H,1-2H3,(H2,15,16,18)
InChIKeyUSCYISVHGLJBMO-UHFFFAOYSA-N
XLogP3.19
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(4-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate (CID 24818490) is methyl 3-[(4-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of methyl 3-[(4-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate?
The InChIKey is USCYISVHGLJBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-19-10-5-3-9(4-6-10)15-14(18)16-11-7-8-21-12(11)13(17)20-2/h3-8H,1-2H3,(H2,15,16,18).
What are the key properties of methyl 3-[(4-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate?
methyl 3-[(4-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate has a molecular weight of 306.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 24818490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).