(E)-2-cyano-N,N-dimethyl-3-(3-methylthiophen-2-yl)prop-2-enamide

C11H12N2OS — CID 7326891

IUPAC(E)-2-cyano-N,N-dimethyl-3-(3-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccsc1/C=C(\C#N)C(=O)N(C)C
InChIInChI=1S/C11H12N2OS/c1-8-4-5-15-10(8)6-9(7-12)11(14)13(2)3/h4-6H,1-3H3/b9-6+
InChIKeyCXNGTVODVBHBDY-RMKNXTFCSA-N
MW220.30 g/mol
LogP2.05
Rot. Bonds2

About (E)-2-cyano-N,N-dimethyl-3-(3-methylthiophen-2-yl)prop-2-enamide

(E)-2-cyano-N,N-dimethyl-3-(3-methylthiophen-2-yl)prop-2-enamide (PubChem CID 7326891) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is (E)-2-cyano-N,N-dimethyl-3-(3-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N,N-dimethyl-3-(3-methylthiophen-2-yl)prop-2-enamide
PubChem CID7326891
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name(E)-2-cyano-N,N-dimethyl-3-(3-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccsc1/C=C(\C#N)C(=O)N(C)C
InChIInChI=1S/C11H12N2OS/c1-8-4-5-15-10(8)6-9(7-12)11(14)13(2)3/h4-6H,1-3H3/b9-6+
InChIKeyCXNGTVODVBHBDY-RMKNXTFCSA-N
XLogP2.05
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-2-cyano-N,N-dimethyl-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)-2-cyano-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 708134
(Z)-2-cyano-N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 19183490
(E)-2-cyano-3-(3-methylthiophen-2-yl)-N-prop-2-enylprop-2-enamide
CID 2132194
(E)-2-(furan-2-carbonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile
CID 9335518
2-(2-methyl-1H-indole-3-carbonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile
CID 3884796
2-cyano-N,N-dimethyl-3-phenylprop-2-enamide
CID 71357997
(E)-2-cyano-N,N-dimethyl-3-(4-phenylphenyl)prop-2-enamide
CID 132546388
2-cyano-N-(furan-2-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 2876439
(E)-2-cyano-3-(3-methylthiophen-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 958228
(E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 7969625
(Z)-2-cyano-3-(3-methylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 789351
(Z)-3-(3-methylthiophen-2-yl)-2-phenylprop-2-enenitrile
CID 1281275

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N,N-dimethyl-3-(3-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N,N-dimethyl-3-(3-methylthiophen-2-yl)prop-2-enamide (CID 7326891) is (E)-2-cyano-N,N-dimethyl-3-(3-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N,N-dimethyl-3-(3-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N,N-dimethyl-3-(3-methylthiophen-2-yl)prop-2-enamide is Cc1ccsc1/C=C(\C#N)C(=O)N(C)C.
What is the InChIKey of (E)-2-cyano-N,N-dimethyl-3-(3-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is CXNGTVODVBHBDY-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8-4-5-15-10(8)6-9(7-12)11(14)13(2)3/h4-6H,1-3H3/b9-6+.
What are the key properties of (E)-2-cyano-N,N-dimethyl-3-(3-methylthiophen-2-yl)prop-2-enamide?
(E)-2-cyano-N,N-dimethyl-3-(3-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 220.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N,N-dimethyl-3-(3-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 7326891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).