4-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-prop-2-enylpentanamide

C20H25NOS — CID 123927746

IUPAC4-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-prop-2-enylpentanamide
SMILESC=CCN(C(=O)CCC(C)C)c1cc(-c2ccccc2)sc1C
InChIInChI=1S/C20H25NOS/c1-5-13-21(20(22)12-11-15(2)3)18-14-19(23-16(18)4)17-9-7-6-8-10-17/h5-10,14-15H,1,11-13H2,2-4H3
InChIKeyACLNFFLSLNGVNP-UHFFFAOYSA-N
MW327.49 g/mol
LogP5.68
Rot. Bonds7

About 4-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-prop-2-enylpentanamide

4-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-prop-2-enylpentanamide (PubChem CID 123927746) has the molecular formula C20H25NOS and a molecular weight of 327.49 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-prop-2-enylpentanamide
PubChem CID123927746
Molecular FormulaC20H25NOS
Molecular Weight327.49 g/mol
Exact Mass327.17
IUPAC Name4-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-prop-2-enylpentanamide
SMILESC=CCN(C(=O)CCC(C)C)c1cc(-c2ccccc2)sc1C
InChIInChI=1S/C20H25NOS/c1-5-13-21(20(22)12-11-15(2)3)18-14-19(23-16(18)4)17-9-7-6-8-10-17/h5-10,14-15H,1,11-13H2,2-4H3
InChIKeyACLNFFLSLNGVNP-UHFFFAOYSA-N
XLogP5.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.49
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-prop-2-enylpentanamide?
The IUPAC name of 4-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-prop-2-enylpentanamide (CID 123927746) is 4-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-prop-2-enylpentanamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-prop-2-enylpentanamide?
The canonical SMILES for 4-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-prop-2-enylpentanamide is C=CCN(C(=O)CCC(C)C)c1cc(-c2ccccc2)sc1C.
What is the InChIKey of 4-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-prop-2-enylpentanamide?
The InChIKey is ACLNFFLSLNGVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NOS/c1-5-13-21(20(22)12-11-15(2)3)18-14-19(23-16(18)4)17-9-7-6-8-10-17/h5-10,14-15H,1,11-13H2,2-4H3.
What are the key properties of 4-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-prop-2-enylpentanamide?
4-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-prop-2-enylpentanamide has a molecular weight of 327.49 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-prop-2-enylpentanamide is sourced from PubChem (CID 123927746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).