N-methoxy-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide

C10H13NO2S — CID 76872999

IUPACN-methoxy-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCON(C)C(=O)C=Cc1ccc(C)s1
InChIInChI=1S/C10H13NO2S/c1-8-4-5-9(14-8)6-7-10(12)11(2)13-3/h4-7H,1-3H3
InChIKeyIVASURFUUJHFBK-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.09
Rot. Bonds3

About N-methoxy-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide

N-methoxy-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide (PubChem CID 76872999) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide
PubChem CID76872999
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC NameN-methoxy-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCON(C)C(=O)C=Cc1ccc(C)s1
InChIInChI=1S/C10H13NO2S/c1-8-4-5-9(14-8)6-7-10(12)11(2)13-3/h4-7H,1-3H3
InChIKeyIVASURFUUJHFBK-UHFFFAOYSA-N
XLogP2.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,N-diethyl-3-thiophen-2-ylprop-2-enamide
CID 2313985
N-Methoxy-N,5-dimethylthiophene-2-carboxamide
CID 10845216
N-methoxy-N-methyl-3-(thiophen-2-yl)acrylamide
CID 15141046
(E)-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide
CID 23111612
5-methyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]-1,2-oxazol-3-one
CID 76334111
(2Z,4E)-2-fluoro-N-methoxy-N-methyl-5-thiophen-2-ylpenta-2,4-dienamide
CID 102358338
(E)-3-(5-methylthiophen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide
CID 42640541
(E)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 43236647
(E)-N,N-dimethyl-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 60651841
(Z)-2-azido-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide
CID 138963230
(Z)-3-iodo-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide
CID 146170007
(E)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide
CID 42646126

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of N-methoxy-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide (CID 76872999) is N-methoxy-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for N-methoxy-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for N-methoxy-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide is CON(C)C(=O)C=Cc1ccc(C)s1.
What is the InChIKey of N-methoxy-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is IVASURFUUJHFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-8-4-5-9(14-8)6-7-10(12)11(2)13-3/h4-7H,1-3H3.
What are the key properties of N-methoxy-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide?
N-methoxy-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 211.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 76872999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).