5-amino-4-N-cyclopentyl-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide

C18H19F2N3O2S — CID 138490362

IUPAC5-amino-4-N-cyclopentyl-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(F)c2)sc(N)c1C(=O)NC1CCCC1
InChIInChI=1S/C18H19F2N3O2S/c1-9-14(17(24)22-10-4-2-3-5-10)16(21)26-15(9)18(25)23-11-6-7-12(19)13(20)8-11/h6-8,10H,2-5,21H2,1H3,(H,22,24)(H,23,25)
InChIKeyXQLKTNLRYOOVPY-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.84
Rot. Bonds4

About 5-amino-4-N-cyclopentyl-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide

5-amino-4-N-cyclopentyl-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide (PubChem CID 138490362) has the molecular formula C18H19F2N3O2S and a molecular weight of 379.43 g/mol. Its IUPAC name is 5-amino-4-N-cyclopentyl-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-4-N-cyclopentyl-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide
PubChem CID138490362
Molecular FormulaC18H19F2N3O2S
Molecular Weight379.43 g/mol
Exact Mass379.12
IUPAC Name5-amino-4-N-cyclopentyl-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(F)c2)sc(N)c1C(=O)NC1CCCC1
InChIInChI=1S/C18H19F2N3O2S/c1-9-14(17(24)22-10-4-2-3-5-10)16(21)26-15(9)18(25)23-11-6-7-12(19)13(20)8-11/h6-8,10H,2-5,21H2,1H3,(H,22,24)(H,23,25)
InChIKeyXQLKTNLRYOOVPY-UHFFFAOYSA-N
XLogP3.84
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

Analyze 5-amino-4-N-cyclopentyl-2-N-(3,4-difluorophenyl)-3-methylthiophene-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 5-amino-4-N-cyclopentyl-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide?
The IUPAC name of 5-amino-4-N-cyclopentyl-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide (CID 138490362) is 5-amino-4-N-cyclopentyl-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-amino-4-N-cyclopentyl-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide?
The canonical SMILES for 5-amino-4-N-cyclopentyl-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide is Cc1c(C(=O)Nc2ccc(F)c(F)c2)sc(N)c1C(=O)NC1CCCC1.
What is the InChIKey of 5-amino-4-N-cyclopentyl-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide?
The InChIKey is XQLKTNLRYOOVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2S/c1-9-14(17(24)22-10-4-2-3-5-10)16(21)26-15(9)18(25)23-11-6-7-12(19)13(20)8-11/h6-8,10H,2-5,21H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 5-amino-4-N-cyclopentyl-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide?
5-amino-4-N-cyclopentyl-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide has a molecular weight of 379.43 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-N-cyclopentyl-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 138490362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).