N-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yloxy-N-prop-2-enylpropanamide

C15H23NO2S — CID 50962975

IUPACN-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yloxy-N-prop-2-enylpropanamide
SMILESC=CCN(Cc1ccc(C)s1)C(=O)C(C)OC(C)C
InChIInChI=1S/C15H23NO2S/c1-6-9-16(10-14-8-7-12(4)19-14)15(17)13(5)18-11(2)3/h6-8,11,13H,1,9-10H2,2-5H3
InChIKeyDRQXISVYRCVAQU-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.38
Rot. Bonds7

About N-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yloxy-N-prop-2-enylpropanamide

N-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yloxy-N-prop-2-enylpropanamide (PubChem CID 50962975) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yloxy-N-prop-2-enylpropanamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yloxy-N-prop-2-enylpropanamide
PubChem CID50962975
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yloxy-N-prop-2-enylpropanamide
SMILESC=CCN(Cc1ccc(C)s1)C(=O)C(C)OC(C)C
InChIInChI=1S/C15H23NO2S/c1-6-9-16(10-14-8-7-12(4)19-14)15(17)13(5)18-11(2)3/h6-8,11,13H,1,9-10H2,2-5H3
InChIKeyDRQXISVYRCVAQU-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.38
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 N-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yloxy-N-prop-2-enylpropanamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yloxy-N-prop-2-enylpropanamide (CID 50962975) is N-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yloxy-N-prop-2-enylpropanamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yloxy-N-prop-2-enylpropanamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yloxy-N-prop-2-enylpropanamide is C=CCN(Cc1ccc(C)s1)C(=O)C(C)OC(C)C.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yloxy-N-prop-2-enylpropanamide?
The InChIKey is DRQXISVYRCVAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-6-9-16(10-14-8-7-12(4)19-14)15(17)13(5)18-11(2)3/h6-8,11,13H,1,9-10H2,2-5H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yloxy-N-prop-2-enylpropanamide?
N-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yloxy-N-prop-2-enylpropanamide has a molecular weight of 281.42 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yloxy-N-prop-2-enylpropanamide is sourced from PubChem (CID 50962975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).