3-amino-2-N-(3-chlorophenyl)-5-(2-methylanilino)thiophene-2,4-dicarboxamide

C19H17ClN4O2S — CID 2439670

IUPAC3-amino-2-N-(3-chlorophenyl)-5-(2-methylanilino)thiophene-2,4-dicarboxamide
SMILESCc1ccccc1Nc1sc(C(=O)Nc2cccc(Cl)c2)c(N)c1C(N)=O
InChIInChI=1S/C19H17ClN4O2S/c1-10-5-2-3-8-13(10)24-19-14(17(22)25)15(21)16(27-19)18(26)23-12-7-4-6-11(20)9-12/h2-9,24H,21H2,1H3,(H2,22,25)(H,23,26)
InChIKeyVMIKLEFBIGZGNY-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.39
Rot. Bonds5

About 3-amino-2-N-(3-chlorophenyl)-5-(2-methylanilino)thiophene-2,4-dicarboxamide

3-amino-2-N-(3-chlorophenyl)-5-(2-methylanilino)thiophene-2,4-dicarboxamide (PubChem CID 2439670) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is 3-amino-2-N-(3-chlorophenyl)-5-(2-methylanilino)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-2-N-(3-chlorophenyl)-5-(2-methylanilino)thiophene-2,4-dicarboxamide
PubChem CID2439670
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC Name3-amino-2-N-(3-chlorophenyl)-5-(2-methylanilino)thiophene-2,4-dicarboxamide
SMILESCc1ccccc1Nc1sc(C(=O)Nc2cccc(Cl)c2)c(N)c1C(N)=O
InChIInChI=1S/C19H17ClN4O2S/c1-10-5-2-3-8-13(10)24-19-14(17(22)25)15(21)16(27-19)18(26)23-12-7-4-6-11(20)9-12/h2-9,24H,21H2,1H3,(H2,22,25)(H,23,26)
InChIKeyVMIKLEFBIGZGNY-UHFFFAOYSA-N
XLogP4.39
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-amino-2-N-(3-chlorophenyl)-5-(2-methylanilino)thiophene-2,4-dicarboxamide 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 3-amino-2-N-(3-chlorophenyl)-5-(2-methylanilino)thiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-2-N-(3-chlorophenyl)-5-(2-methylanilino)thiophene-2,4-dicarboxamide (CID 2439670) is 3-amino-2-N-(3-chlorophenyl)-5-(2-methylanilino)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-2-N-(3-chlorophenyl)-5-(2-methylanilino)thiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-2-N-(3-chlorophenyl)-5-(2-methylanilino)thiophene-2,4-dicarboxamide is Cc1ccccc1Nc1sc(C(=O)Nc2cccc(Cl)c2)c(N)c1C(N)=O.
What is the InChIKey of 3-amino-2-N-(3-chlorophenyl)-5-(2-methylanilino)thiophene-2,4-dicarboxamide?
The InChIKey is VMIKLEFBIGZGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S/c1-10-5-2-3-8-13(10)24-19-14(17(22)25)15(21)16(27-19)18(26)23-12-7-4-6-11(20)9-12/h2-9,24H,21H2,1H3,(H2,22,25)(H,23,26).
What are the key properties of 3-amino-2-N-(3-chlorophenyl)-5-(2-methylanilino)thiophene-2,4-dicarboxamide?
3-amino-2-N-(3-chlorophenyl)-5-(2-methylanilino)thiophene-2,4-dicarboxamide has a molecular weight of 400.89 g/mol, XLogP of 4.39, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-N-(3-chlorophenyl)-5-(2-methylanilino)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 2439670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).