2-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide

C9H11NOS — CID 59609658

IUPAC2-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCc1ccsc1
InChIInChI=1S/C9H11NOS/c1-7(2)9(11)10-5-8-3-4-12-6-8/h3-4,6H,1,5H2,2H3,(H,10,11)
InChIKeyCQZWKIQDWIJKQO-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.94
Rot. Bonds3

About 2-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide

2-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide (PubChem CID 59609658) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide
PubChem CID59609658
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name2-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCc1ccsc1
InChIInChI=1S/C9H11NOS/c1-7(2)9(11)10-5-8-3-4-12-6-8/h3-4,6H,1,5H2,2H3,(H,10,11)
InChIKeyCQZWKIQDWIJKQO-UHFFFAOYSA-N
XLogP1.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.94
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

methyl 2-oxo-2-(thiophen-3-ylmethylamino)acetate
CID 112617233
N-benzyl-2-methylprop-2-enamide;hydrazine
CID 157480946
1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea
CID 130682664
3-(methylamino)-N-(thiophen-3-ylmethyl)propanamide
CID 63246869
1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea
CID 60765071
2,3-dimethyl-4-oxo-4-(thiophen-3-ylmethylamino)butanoic acid
CID 103498386
(2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide
CID 79023085
N'-[2-(furan-2-yl)-2-hydroxypropyl]-N-(thiophen-3-ylmethyl)oxamide
CID 121085924
5-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 71806156
2-(prop-2-enylamino)-N-(thiophen-3-ylmethyl)acetamide
CID 79279865
3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide
CID 63243923
2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide
CID 63246547

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide (CID 59609658) is 2-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide is C=C(C)C(=O)NCc1ccsc1.
What is the InChIKey of 2-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide?
The InChIKey is CQZWKIQDWIJKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-7(2)9(11)10-5-8-3-4-12-6-8/h3-4,6H,1,5H2,2H3,(H,10,11).
What are the key properties of 2-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide?
2-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide has a molecular weight of 181.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide is sourced from PubChem (CID 59609658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).