ethyl 3-(N-cyclopropyl-4-methoxyanilino)-3-sulfanylidenepropanoate

C15H19NO3S — CID 10589826

IUPACethyl 3-(N-cyclopropyl-4-methoxyanilino)-3-sulfanylidenepropanoate
SMILESCCOC(=O)CC(=S)N(c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C15H19NO3S/c1-3-19-15(17)10-14(20)16(11-4-5-11)12-6-8-13(18-2)9-7-12/h6-9,11H,3-5,10H2,1-2H3
InChIKeyLXVSSBFMKKBPBP-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.94
Rot. Bonds6

About ethyl 3-(N-cyclopropyl-4-methoxyanilino)-3-sulfanylidenepropanoate

ethyl 3-(N-cyclopropyl-4-methoxyanilino)-3-sulfanylidenepropanoate (PubChem CID 10589826) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is ethyl 3-(N-cyclopropyl-4-methoxyanilino)-3-sulfanylidenepropanoate.

Molecular Properties

Compound Nameethyl 3-(N-cyclopropyl-4-methoxyanilino)-3-sulfanylidenepropanoate
PubChem CID10589826
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Nameethyl 3-(N-cyclopropyl-4-methoxyanilino)-3-sulfanylidenepropanoate
SMILESCCOC(=O)CC(=S)N(c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C15H19NO3S/c1-3-19-15(17)10-14(20)16(11-4-5-11)12-6-8-13(18-2)9-7-12/h6-9,11H,3-5,10H2,1-2H3
InChIKeyLXVSSBFMKKBPBP-UHFFFAOYSA-N
XLogP2.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 3-(N-cyclopropyl-4-methoxyanilino)-3-sulfanylidenepropanoate 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 3-(N-(2-ethoxy-2-oxoethyl)-4-methoxyanilino)-3-oxopropanoate
CID 46398234
N-cyclohexyl-N-(4-methoxyphenyl)acetamide
CID 138348366
ethyl 3-(N,4-dimethylanilino)-3-sulfanylidenepropanoate
CID 10777151
ethyl 4-(4-chloro-N-[2-(4-methoxyphenyl)acetyl]anilino)piperidine-1-carboxylate
CID 23339060
N-(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 42853290
ethyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate
CID 43276107
(2S)-2-amino-N-cyclopropyl-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)propanamide
CID 122648496
ethyl 2-(4-methoxyphenyl)selanylacetate
CID 10635957
1-(cyclopropylmethyl)-1-(4-methoxyphenyl)thiourea
CID 54541178
ethyl 3-(4-methoxyphenyl)-3-oxopropanoate;1-(4-methoxyphenyl)ethanone
CID 158865973
ethyl 3,4-bis(4-methoxyphenyl)but-3-enoate
CID 67000278
ethyl 2-[2-(4-methoxyphenyl)ethanethioyl]sulfanylacetate
CID 14294104

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(N-cyclopropyl-4-methoxyanilino)-3-sulfanylidenepropanoate?
The IUPAC name of ethyl 3-(N-cyclopropyl-4-methoxyanilino)-3-sulfanylidenepropanoate (CID 10589826) is ethyl 3-(N-cyclopropyl-4-methoxyanilino)-3-sulfanylidenepropanoate.
What is the SMILES notation for ethyl 3-(N-cyclopropyl-4-methoxyanilino)-3-sulfanylidenepropanoate?
The canonical SMILES for ethyl 3-(N-cyclopropyl-4-methoxyanilino)-3-sulfanylidenepropanoate is CCOC(=O)CC(=S)N(c1ccc(OC)cc1)C1CC1.
What is the InChIKey of ethyl 3-(N-cyclopropyl-4-methoxyanilino)-3-sulfanylidenepropanoate?
The InChIKey is LXVSSBFMKKBPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-3-19-15(17)10-14(20)16(11-4-5-11)12-6-8-13(18-2)9-7-12/h6-9,11H,3-5,10H2,1-2H3.
What are the key properties of ethyl 3-(N-cyclopropyl-4-methoxyanilino)-3-sulfanylidenepropanoate?
ethyl 3-(N-cyclopropyl-4-methoxyanilino)-3-sulfanylidenepropanoate has a molecular weight of 293.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(N-cyclopropyl-4-methoxyanilino)-3-sulfanylidenepropanoate is sourced from PubChem (CID 10589826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).