propan-2-yl 2-amino-4-(3-chlorophenyl)thiophene-3-carboxylate

C14H14ClNO2S — CID 63470747

IUPACpropan-2-yl 2-amino-4-(3-chlorophenyl)thiophene-3-carboxylate
SMILESCC(C)OC(=O)c1c(-c2cccc(Cl)c2)csc1N
InChIInChI=1S/C14H14ClNO2S/c1-8(2)18-14(17)12-11(7-19-13(12)16)9-4-3-5-10(15)6-9/h3-8H,16H2,1-2H3
InChIKeyZOAZZQNOSXVSMJ-UHFFFAOYSA-N
MW295.79 g/mol
LogP4.22
Rot. Bonds3

About propan-2-yl 2-amino-4-(3-chlorophenyl)thiophene-3-carboxylate

propan-2-yl 2-amino-4-(3-chlorophenyl)thiophene-3-carboxylate (PubChem CID 63470747) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is propan-2-yl 2-amino-4-(3-chlorophenyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-4-(3-chlorophenyl)thiophene-3-carboxylate
PubChem CID63470747
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Namepropan-2-yl 2-amino-4-(3-chlorophenyl)thiophene-3-carboxylate
SMILESCC(C)OC(=O)c1c(-c2cccc(Cl)c2)csc1N
InChIInChI=1S/C14H14ClNO2S/c1-8(2)18-14(17)12-11(7-19-13(12)16)9-4-3-5-10(15)6-9/h3-8H,16H2,1-2H3
InChIKeyZOAZZQNOSXVSMJ-UHFFFAOYSA-N
XLogP4.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 2-amino-4-(3-chlorophenyl)thiophene-3-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 propan-2-yl 2-amino-4-(3-chlorophenyl)thiophene-3-carboxylate?
The IUPAC name of propan-2-yl 2-amino-4-(3-chlorophenyl)thiophene-3-carboxylate (CID 63470747) is propan-2-yl 2-amino-4-(3-chlorophenyl)thiophene-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-amino-4-(3-chlorophenyl)thiophene-3-carboxylate?
The canonical SMILES for propan-2-yl 2-amino-4-(3-chlorophenyl)thiophene-3-carboxylate is CC(C)OC(=O)c1c(-c2cccc(Cl)c2)csc1N.
What is the InChIKey of propan-2-yl 2-amino-4-(3-chlorophenyl)thiophene-3-carboxylate?
The InChIKey is ZOAZZQNOSXVSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-8(2)18-14(17)12-11(7-19-13(12)16)9-4-3-5-10(15)6-9/h3-8H,16H2,1-2H3.
What are the key properties of propan-2-yl 2-amino-4-(3-chlorophenyl)thiophene-3-carboxylate?
propan-2-yl 2-amino-4-(3-chlorophenyl)thiophene-3-carboxylate has a molecular weight of 295.79 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-4-(3-chlorophenyl)thiophene-3-carboxylate is sourced from PubChem (CID 63470747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).