5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide

C20H23NO2S — CID 141101673

IUPAC5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide
SMILESCC1=CCC(C(=O)N(c2csc(-c3ccccc3)c2)C(C)C)OC1
InChIInChI=1S/C20H23NO2S/c1-14(2)21(20(22)18-10-9-15(3)12-23-18)17-11-19(24-13-17)16-7-5-4-6-8-16/h4-9,11,13-14,18H,10,12H2,1-3H3
InChIKeySXJVFOBVQQVABQ-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.89
Rot. Bonds4

About 5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide

5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide (PubChem CID 141101673) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide
PubChem CID141101673
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide
SMILESCC1=CCC(C(=O)N(c2csc(-c3ccccc3)c2)C(C)C)OC1
InChIInChI=1S/C20H23NO2S/c1-14(2)21(20(22)18-10-9-15(3)12-23-18)17-11-19(24-13-17)16-7-5-4-6-8-16/h4-9,11,13-14,18H,10,12H2,1-3H3
InChIKeySXJVFOBVQQVABQ-UHFFFAOYSA-N
XLogP4.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-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 5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide?
The IUPAC name of 5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide (CID 141101673) is 5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide?
The canonical SMILES for 5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide is CC1=CCC(C(=O)N(c2csc(-c3ccccc3)c2)C(C)C)OC1.
What is the InChIKey of 5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide?
The InChIKey is SXJVFOBVQQVABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-14(2)21(20(22)18-10-9-15(3)12-23-18)17-11-19(24-13-17)16-7-5-4-6-8-16/h4-9,11,13-14,18H,10,12H2,1-3H3.
What are the key properties of 5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide?
5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide has a molecular weight of 341.48 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide is sourced from PubChem (CID 141101673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).