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

C21H25NO2S — CID 59752370

IUPAC5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide
SMILESCC1=CCC(C(=O)N(c2cc(-c3ccccc3)sc2C)C(C)C)OC1
InChIInChI=1S/C21H25NO2S/c1-14(2)22(21(23)19-11-10-15(3)13-24-19)18-12-20(25-16(18)4)17-8-6-5-7-9-17/h5-10,12,14,19H,11,13H2,1-4H3
InChIKeyXKDCUCBHTKAKMM-UHFFFAOYSA-N
MW355.50 g/mol
LogP5.20
Rot. Bonds4

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

5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide (PubChem CID 59752370) has the molecular formula C21H25NO2S and a molecular weight of 355.50 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide
PubChem CID59752370
Molecular FormulaC21H25NO2S
Molecular Weight355.50 g/mol
Exact Mass355.16
IUPAC Name5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide
SMILESCC1=CCC(C(=O)N(c2cc(-c3ccccc3)sc2C)C(C)C)OC1
InChIInChI=1S/C21H25NO2S/c1-14(2)22(21(23)19-11-10-15(3)13-24-19)18-12-20(25-16(18)4)17-8-6-5-7-9-17/h5-10,12,14,19H,11,13H2,1-4H3
InChIKeyXKDCUCBHTKAKMM-UHFFFAOYSA-N
XLogP5.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.50
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide (CID 59752370) is 5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide is CC1=CCC(C(=O)N(c2cc(-c3ccccc3)sc2C)C(C)C)OC1.
What is the InChIKey of 5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide?
The InChIKey is XKDCUCBHTKAKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2S/c1-14(2)22(21(23)19-11-10-15(3)13-24-19)18-12-20(25-16(18)4)17-8-6-5-7-9-17/h5-10,12,14,19H,11,13H2,1-4H3.
What are the key properties of 5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide?
5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide has a molecular weight of 355.50 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide is sourced from PubChem (CID 59752370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).