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

C9H11NOS — CID 76872160

IUPACN-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide
SMILESCNC(=O)C=Cc1sccc1C
InChIInChI=1S/C9H11NOS/c1-7-5-6-12-8(7)3-4-9(11)10-2/h3-6H,1-2H3,(H,10,11)
InChIKeyGINQKJWKXDRFBR-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.82
Rot. Bonds2

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

N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide (PubChem CID 76872160) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide
PubChem CID76872160
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC NameN-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide
SMILESCNC(=O)C=Cc1sccc1C
InChIInChI=1S/C9H11NOS/c1-7-5-6-12-8(7)3-4-9(11)10-2/h3-6H,1-2H3,(H,10,11)
InChIKeyGINQKJWKXDRFBR-UHFFFAOYSA-N
XLogP1.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.82
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

(E)-N-ethyl-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 60636518
(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl chloride
CID 13100384
(E)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 107847318
N-[(2R)-1-hydroxypropan-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 79027874
(Z)-N'-(2-chloroacetyl)-3-(3-methylthiophen-2-yl)prop-2-enehydrazide
CID 6141778
(E)-N-(2-ethylbutyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 113232022
(E)-N-[(2S)-1-hydroxybutan-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 104981086
methyl 3-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]thiophene-2-carboxylate
CID 43013639
2-methyl-N'-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]benzohydrazide
CID 9220828
(E)-N-(2-hydroxy-4-methylpentyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 103771088
N-(1-hydroxy-2-methylbutan-2-yl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 77046875
(E)-N-(3-fluoro-4-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 9216038

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide (CID 76872160) is N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide is CNC(=O)C=Cc1sccc1C.
What is the InChIKey of N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is GINQKJWKXDRFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-7-5-6-12-8(7)3-4-9(11)10-2/h3-6H,1-2H3,(H,10,11).
What are the key properties of N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide?
N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 181.26 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 76872160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).