N-methoxy-N-methyl-3-[4-(3-methylsulfanylphenyl)phenyl]prop-2-enamide

C18H19NO2S — CID 131735932

IUPACN-methoxy-N-methyl-3-[4-(3-methylsulfanylphenyl)phenyl]prop-2-enamide
SMILESCON(C)C(=O)C=Cc1ccc(-c2cccc(SC)c2)cc1
InChIInChI=1S/C18H19NO2S/c1-19(21-2)18(20)12-9-14-7-10-15(11-8-14)16-5-4-6-17(13-16)22-3/h4-13H,1-3H3
InChIKeyOHFLOWKFVVYIRN-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.11
Rot. Bonds5

About N-methoxy-N-methyl-3-[4-(3-methylsulfanylphenyl)phenyl]prop-2-enamide

N-methoxy-N-methyl-3-[4-(3-methylsulfanylphenyl)phenyl]prop-2-enamide (PubChem CID 131735932) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-[4-(3-methylsulfanylphenyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3-[4-(3-methylsulfanylphenyl)phenyl]prop-2-enamide
PubChem CID131735932
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC NameN-methoxy-N-methyl-3-[4-(3-methylsulfanylphenyl)phenyl]prop-2-enamide
SMILESCON(C)C(=O)C=Cc1ccc(-c2cccc(SC)c2)cc1
InChIInChI=1S/C18H19NO2S/c1-19(21-2)18(20)12-9-14-7-10-15(11-8-14)16-5-4-6-17(13-16)22-3/h4-13H,1-3H3
InChIKeyOHFLOWKFVVYIRN-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.11
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'}

Analyze N-methoxy-N-methyl-3-[4-(3-methylsulfanylphenyl)phenyl]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-methoxy-N-methyl-3-[3-(4-methylsulfanylphenyl)phenyl]prop-2-enamide
CID 118431943
(Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide
CID 97305733
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
trifluoro-[4-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]phenyl]boranuide
CID 11850048
(E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 22347490
3-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide
CID 10609722
(E)-N-methoxy-N-methyl-3-(3,4,5-trifluorophenyl)prop-2-enamide
CID 75480899
3-(3-methylsulfanylphenyl)prop-2-enamide
CID 169481437
methyl 3-(4-methylsulfanylphenyl)prop-2-enoate
CID 6624383
(E)-3-(4-methylsulfanylphenyl)-1-[3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 5379882
(E)-N-methyl-3-(4-phenylphenyl)-N-propylprop-2-enamide
CID 18737343
(Z)-3-[4-(3-fluorophenyl)phenyl]prop-2-enamide
CID 170876937

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-3-[4-(3-methylsulfanylphenyl)phenyl]prop-2-enamide?
The IUPAC name of N-methoxy-N-methyl-3-[4-(3-methylsulfanylphenyl)phenyl]prop-2-enamide (CID 131735932) is N-methoxy-N-methyl-3-[4-(3-methylsulfanylphenyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-methoxy-N-methyl-3-[4-(3-methylsulfanylphenyl)phenyl]prop-2-enamide?
The canonical SMILES for N-methoxy-N-methyl-3-[4-(3-methylsulfanylphenyl)phenyl]prop-2-enamide is CON(C)C(=O)C=Cc1ccc(-c2cccc(SC)c2)cc1.
What is the InChIKey of N-methoxy-N-methyl-3-[4-(3-methylsulfanylphenyl)phenyl]prop-2-enamide?
The InChIKey is OHFLOWKFVVYIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-19(21-2)18(20)12-9-14-7-10-15(11-8-14)16-5-4-6-17(13-16)22-3/h4-13H,1-3H3.
What are the key properties of N-methoxy-N-methyl-3-[4-(3-methylsulfanylphenyl)phenyl]prop-2-enamide?
N-methoxy-N-methyl-3-[4-(3-methylsulfanylphenyl)phenyl]prop-2-enamide has a molecular weight of 313.42 g/mol, XLogP of 4.11, 5 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-[4-(3-methylsulfanylphenyl)phenyl]prop-2-enamide is sourced from PubChem (CID 131735932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).