methyl 3-[(3-fluorophenyl)methyl-methylsulfonylamino]thiophene-2-carboxylate

C14H14FNO4S2 — CID 7245590

IUPACmethyl 3-[(3-fluorophenyl)methyl-methylsulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1N(Cc1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C14H14FNO4S2/c1-20-14(17)13-12(6-7-21-13)16(22(2,18)19)9-10-4-3-5-11(15)8-10/h3-8H,9H2,1-2H3
InChIKeyOEVCFJNFDNKYGU-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.64
Rot. Bonds5

About methyl 3-[(3-fluorophenyl)methyl-methylsulfonylamino]thiophene-2-carboxylate

methyl 3-[(3-fluorophenyl)methyl-methylsulfonylamino]thiophene-2-carboxylate (PubChem CID 7245590) has the molecular formula C14H14FNO4S2 and a molecular weight of 343.40 g/mol. Its IUPAC name is methyl 3-[(3-fluorophenyl)methyl-methylsulfonylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-fluorophenyl)methyl-methylsulfonylamino]thiophene-2-carboxylate
PubChem CID7245590
Molecular FormulaC14H14FNO4S2
Molecular Weight343.40 g/mol
Exact Mass343.03
IUPAC Namemethyl 3-[(3-fluorophenyl)methyl-methylsulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1N(Cc1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C14H14FNO4S2/c1-20-14(17)13-12(6-7-21-13)16(22(2,18)19)9-10-4-3-5-11(15)8-10/h3-8H,9H2,1-2H3
InChIKeyOEVCFJNFDNKYGU-UHFFFAOYSA-N
XLogP2.64
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(3-fluorophenyl)methyl-methylsulfonylamino]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-[(3-fluorophenyl)methyl-methylsulfonylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3-fluorophenyl)methyl-methylsulfonylamino]thiophene-2-carboxylate (CID 7245590) is methyl 3-[(3-fluorophenyl)methyl-methylsulfonylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-fluorophenyl)methyl-methylsulfonylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3-fluorophenyl)methyl-methylsulfonylamino]thiophene-2-carboxylate is COC(=O)c1sccc1N(Cc1cccc(F)c1)S(C)(=O)=O.
What is the InChIKey of methyl 3-[(3-fluorophenyl)methyl-methylsulfonylamino]thiophene-2-carboxylate?
The InChIKey is OEVCFJNFDNKYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4S2/c1-20-14(17)13-12(6-7-21-13)16(22(2,18)19)9-10-4-3-5-11(15)8-10/h3-8H,9H2,1-2H3.
What are the key properties of methyl 3-[(3-fluorophenyl)methyl-methylsulfonylamino]thiophene-2-carboxylate?
methyl 3-[(3-fluorophenyl)methyl-methylsulfonylamino]thiophene-2-carboxylate has a molecular weight of 343.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-fluorophenyl)methyl-methylsulfonylamino]thiophene-2-carboxylate is sourced from PubChem (CID 7245590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).