3-methyl-N-[(5-methylthiophen-2-yl)methyl]but-2-enamide

C11H15NOS — CID 51082921

IUPAC3-methyl-N-[(5-methylthiophen-2-yl)methyl]but-2-enamide
SMILESCC(C)=CC(=O)NCc1ccc(C)s1
InChIInChI=1S/C11H15NOS/c1-8(2)6-11(13)12-7-10-5-4-9(3)14-10/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyICKKHZQZSDXDMQ-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.64
Rot. Bonds3

About 3-methyl-N-[(5-methylthiophen-2-yl)methyl]but-2-enamide

3-methyl-N-[(5-methylthiophen-2-yl)methyl]but-2-enamide (PubChem CID 51082921) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-methyl-N-[(5-methylthiophen-2-yl)methyl]but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-[(5-methylthiophen-2-yl)methyl]but-2-enamide
PubChem CID51082921
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name3-methyl-N-[(5-methylthiophen-2-yl)methyl]but-2-enamide
SMILESCC(C)=CC(=O)NCc1ccc(C)s1
InChIInChI=1S/C11H15NOS/c1-8(2)6-11(13)12-7-10-5-4-9(3)14-10/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyICKKHZQZSDXDMQ-UHFFFAOYSA-N
XLogP2.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 130685032
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 60776039
3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 110733947
3-methyl-N-[(5-methylthiophen-2-yl)methyl]but-2-en-1-amine
CID 103817594
3-methyl-N-[(3-methylfuran-2-yl)methyl]but-2-enamide
CID 130597720
2-methyl-2-(methylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 62846936
7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide
CID 55029800
6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide
CID 62058651
methyl 4-[(5-methylthiophen-2-yl)methylamino]-4-oxobutanoate
CID 110733948
3-amino-2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 81489224
(2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 79022853
3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 107980409

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-methylthiophen-2-yl)methyl]but-2-enamide?
The IUPAC name of 3-methyl-N-[(5-methylthiophen-2-yl)methyl]but-2-enamide (CID 51082921) is 3-methyl-N-[(5-methylthiophen-2-yl)methyl]but-2-enamide.
What is the SMILES notation for 3-methyl-N-[(5-methylthiophen-2-yl)methyl]but-2-enamide?
The canonical SMILES for 3-methyl-N-[(5-methylthiophen-2-yl)methyl]but-2-enamide is CC(C)=CC(=O)NCc1ccc(C)s1.
What is the InChIKey of 3-methyl-N-[(5-methylthiophen-2-yl)methyl]but-2-enamide?
The InChIKey is ICKKHZQZSDXDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8(2)6-11(13)12-7-10-5-4-9(3)14-10/h4-6H,7H2,1-3H3,(H,12,13).
What are the key properties of 3-methyl-N-[(5-methylthiophen-2-yl)methyl]but-2-enamide?
3-methyl-N-[(5-methylthiophen-2-yl)methyl]but-2-enamide has a molecular weight of 209.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methylthiophen-2-yl)methyl]but-2-enamide is sourced from PubChem (CID 51082921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).