4,5-dimethyl-2-(2-methylpropanoylamino)-N-phenylthiophene-3-carboxamide

C17H20N2O2S — CID 786590

IUPAC4,5-dimethyl-2-(2-methylpropanoylamino)-N-phenylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)C(C)C)c(C(=O)Nc2ccccc2)c1C
InChIInChI=1S/C17H20N2O2S/c1-10(2)15(20)19-17-14(11(3)12(4)22-17)16(21)18-13-8-6-5-7-9-13/h5-10H,1-4H3,(H,18,21)(H,19,20)
InChIKeyBBONRUMFZAZRGU-UHFFFAOYSA-N
MW316.43 g/mol
LogP4.21
Rot. Bonds4

About 4,5-dimethyl-2-(2-methylpropanoylamino)-N-phenylthiophene-3-carboxamide

4,5-dimethyl-2-(2-methylpropanoylamino)-N-phenylthiophene-3-carboxamide (PubChem CID 786590) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 4,5-dimethyl-2-(2-methylpropanoylamino)-N-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-2-(2-methylpropanoylamino)-N-phenylthiophene-3-carboxamide
PubChem CID786590
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name4,5-dimethyl-2-(2-methylpropanoylamino)-N-phenylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)C(C)C)c(C(=O)Nc2ccccc2)c1C
InChIInChI=1S/C17H20N2O2S/c1-10(2)15(20)19-17-14(11(3)12(4)22-17)16(21)18-13-8-6-5-7-9-13/h5-10H,1-4H3,(H,18,21)(H,19,20)
InChIKeyBBONRUMFZAZRGU-UHFFFAOYSA-N
XLogP4.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4,5-dimethyl-2-(2-methylpropanoylamino)-N-phenylthiophene-3-carboxamide 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 4,5-dimethyl-2-(2-methylpropanoylamino)-N-phenylthiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-2-(2-methylpropanoylamino)-N-phenylthiophene-3-carboxamide (CID 786590) is 4,5-dimethyl-2-(2-methylpropanoylamino)-N-phenylthiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-2-(2-methylpropanoylamino)-N-phenylthiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-2-(2-methylpropanoylamino)-N-phenylthiophene-3-carboxamide is Cc1sc(NC(=O)C(C)C)c(C(=O)Nc2ccccc2)c1C.
What is the InChIKey of 4,5-dimethyl-2-(2-methylpropanoylamino)-N-phenylthiophene-3-carboxamide?
The InChIKey is BBONRUMFZAZRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-10(2)15(20)19-17-14(11(3)12(4)22-17)16(21)18-13-8-6-5-7-9-13/h5-10H,1-4H3,(H,18,21)(H,19,20).
What are the key properties of 4,5-dimethyl-2-(2-methylpropanoylamino)-N-phenylthiophene-3-carboxamide?
4,5-dimethyl-2-(2-methylpropanoylamino)-N-phenylthiophene-3-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(2-methylpropanoylamino)-N-phenylthiophene-3-carboxamide is sourced from PubChem (CID 786590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).