(E)-N-ethyl-3-(3-methylthiophen-2-yl)prop-2-enamide

C10H13NOS — CID 60636518

IUPAC(E)-N-ethyl-3-(3-methylthiophen-2-yl)prop-2-enamide
SMILESCCNC(=O)/C=C/c1sccc1C
InChIInChI=1S/C10H13NOS/c1-3-11-10(12)5-4-9-8(2)6-7-13-9/h4-7H,3H2,1-2H3,(H,11,12)/b5-4+
InChIKeyYYTAUVFMSQQSGT-SNAWJCMRSA-N
MW195.29 g/mol
LogP2.21
Rot. Bonds3

About (E)-N-ethyl-3-(3-methylthiophen-2-yl)prop-2-enamide

(E)-N-ethyl-3-(3-methylthiophen-2-yl)prop-2-enamide (PubChem CID 60636518) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is (E)-N-ethyl-3-(3-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-(3-methylthiophen-2-yl)prop-2-enamide
PubChem CID60636518
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name(E)-N-ethyl-3-(3-methylthiophen-2-yl)prop-2-enamide
SMILESCCNC(=O)/C=C/c1sccc1C
InChIInChI=1S/C10H13NOS/c1-3-11-10(12)5-4-9-8(2)6-7-13-9/h4-7H,3H2,1-2H3,(H,11,12)/b5-4+
InChIKeyYYTAUVFMSQQSGT-SNAWJCMRSA-N
XLogP2.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-ethyl-3-(3-methylthiophen-2-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(2-ethylbutyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 113232022
(E)-N-(3-hydroxypentyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 115703620
N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 76872160
(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 103843443
(E)-N-(2-hydroxy-4-methylpentyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 103771088
5-[3-(3-methylthiophen-2-yl)prop-2-enoylamino]pentanoic acid
CID 76931596
N-(4-hydroxy-2-methylbutyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 77112820
(E)-3-(3-methylthiophen-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
CID 103755803
(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
(E)-N-[(2S)-1-hydroxybutan-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 104981086
(E)-N-(2-hydroxy-2-phenylethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 43416373

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-(3-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-(3-methylthiophen-2-yl)prop-2-enamide (CID 60636518) is (E)-N-ethyl-3-(3-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-(3-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-(3-methylthiophen-2-yl)prop-2-enamide is CCNC(=O)/C=C/c1sccc1C.
What is the InChIKey of (E)-N-ethyl-3-(3-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is YYTAUVFMSQQSGT-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H13NOS/c1-3-11-10(12)5-4-9-8(2)6-7-13-9/h4-7H,3H2,1-2H3,(H,11,12)/b5-4+.
What are the key properties of (E)-N-ethyl-3-(3-methylthiophen-2-yl)prop-2-enamide?
(E)-N-ethyl-3-(3-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 195.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-(3-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 60636518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).