ethyl 2-[methyl-(3-phenyl-3-thiophen-2-ylprop-1-enyl)amino]acetate

C18H21NO2S — CID 139913754

IUPACethyl 2-[methyl-(3-phenyl-3-thiophen-2-ylprop-1-enyl)amino]acetate
SMILESCCOC(=O)CN(C)C=CC(c1ccccc1)c1cccs1
InChIInChI=1S/C18H21NO2S/c1-3-21-18(20)14-19(2)12-11-16(17-10-7-13-22-17)15-8-5-4-6-9-15/h4-13,16H,3,14H2,1-2H3
InChIKeyROMXWXOMKDQCOL-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.89
Rot. Bonds7

About ethyl 2-[methyl-(3-phenyl-3-thiophen-2-ylprop-1-enyl)amino]acetate

ethyl 2-[methyl-(3-phenyl-3-thiophen-2-ylprop-1-enyl)amino]acetate (PubChem CID 139913754) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is ethyl 2-[methyl-(3-phenyl-3-thiophen-2-ylprop-1-enyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(3-phenyl-3-thiophen-2-ylprop-1-enyl)amino]acetate
PubChem CID139913754
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Nameethyl 2-[methyl-(3-phenyl-3-thiophen-2-ylprop-1-enyl)amino]acetate
SMILESCCOC(=O)CN(C)C=CC(c1ccccc1)c1cccs1
InChIInChI=1S/C18H21NO2S/c1-3-21-18(20)14-19(2)12-11-16(17-10-7-13-22-17)15-8-5-4-6-9-15/h4-13,16H,3,14H2,1-2H3
InChIKeyROMXWXOMKDQCOL-UHFFFAOYSA-N
XLogP3.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[methyl-(3-phenyl-3-thiophen-2-ylprop-1-enyl)amino]acetate 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

ethyl 2-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylacetate
CID 9286941
ethyl (3S)-3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate
CID 129383270
ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
CID 13090015
ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 55028782
ethyl 3-(dimethylamino)-2-phenylhept-4-enoate
CID 154230488
(Z)-but-2-enedioic acid;4-(diethylamino)-1-phenyl-1-thiophen-2-ylbut-3-en-2-one
CID 131864527
ethyl 2-phenyl-2-thiophen-2-ylsulfonylacetate
CID 106676969
ethyl 2-[methyl(3-thiophen-2-ylpropanoyl)amino]acetate
CID 55003743
ethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate
CID 54896878
ethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate
CID 60636693
ethyl 6-amino-6-thiophen-2-ylhexanoate
CID 60862649
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(3-phenyl-3-thiophen-2-ylprop-1-enyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(3-phenyl-3-thiophen-2-ylprop-1-enyl)amino]acetate (CID 139913754) is ethyl 2-[methyl-(3-phenyl-3-thiophen-2-ylprop-1-enyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(3-phenyl-3-thiophen-2-ylprop-1-enyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(3-phenyl-3-thiophen-2-ylprop-1-enyl)amino]acetate is CCOC(=O)CN(C)C=CC(c1ccccc1)c1cccs1.
What is the InChIKey of ethyl 2-[methyl-(3-phenyl-3-thiophen-2-ylprop-1-enyl)amino]acetate?
The InChIKey is ROMXWXOMKDQCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-3-21-18(20)14-19(2)12-11-16(17-10-7-13-22-17)15-8-5-4-6-9-15/h4-13,16H,3,14H2,1-2H3.
What are the key properties of ethyl 2-[methyl-(3-phenyl-3-thiophen-2-ylprop-1-enyl)amino]acetate?
ethyl 2-[methyl-(3-phenyl-3-thiophen-2-ylprop-1-enyl)amino]acetate has a molecular weight of 315.44 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(3-phenyl-3-thiophen-2-ylprop-1-enyl)amino]acetate is sourced from PubChem (CID 139913754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).