(E)-N-ethyl-3-(4-methoxyphenyl)-N-(2-sulfanylpropyl)prop-2-enamide

C15H21NO2S — CID 146661377

IUPAC(E)-N-ethyl-3-(4-methoxyphenyl)-N-(2-sulfanylpropyl)prop-2-enamide
SMILESCCN(CC(C)S)C(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C15H21NO2S/c1-4-16(11-12(2)19)15(17)10-7-13-5-8-14(18-3)9-6-13/h5-10,12,19H,4,11H2,1-3H3/b10-7+
InChIKeyLZWDXFOFKYWUCI-JXMROGBWSA-N
MW279.41 g/mol
LogP2.88
Rot. Bonds6

About (E)-N-ethyl-3-(4-methoxyphenyl)-N-(2-sulfanylpropyl)prop-2-enamide

(E)-N-ethyl-3-(4-methoxyphenyl)-N-(2-sulfanylpropyl)prop-2-enamide (PubChem CID 146661377) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is (E)-N-ethyl-3-(4-methoxyphenyl)-N-(2-sulfanylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-(4-methoxyphenyl)-N-(2-sulfanylpropyl)prop-2-enamide
PubChem CID146661377
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name(E)-N-ethyl-3-(4-methoxyphenyl)-N-(2-sulfanylpropyl)prop-2-enamide
SMILESCCN(CC(C)S)C(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C15H21NO2S/c1-4-16(11-12(2)19)15(17)10-7-13-5-8-14(18-3)9-6-13/h5-10,12,19H,4,11H2,1-3H3/b10-7+
InChIKeyLZWDXFOFKYWUCI-JXMROGBWSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (E)-N-ethyl-3-(4-methoxyphenyl)-N-(2-sulfanylpropyl)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

3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide
CID 3500968
3-[ethyl-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 61008451
3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide
CID 73010710
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
(E)-N-(diethylcarbamothioyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 6276098
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-propan-2-ylamino]acetic acid
CID 60830331
(Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide
CID 97304942
1,1-diethyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907733
(E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide
CID 890681
N-(2-hydroxy-3-methoxypropyl)-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 76911057
(E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide
CID 66561051
(E)-3-[4-(methoxymethoxy)phenyl]-N,N-dipropylprop-2-enamide
CID 110498588

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-(4-methoxyphenyl)-N-(2-sulfanylpropyl)prop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-(4-methoxyphenyl)-N-(2-sulfanylpropyl)prop-2-enamide (CID 146661377) is (E)-N-ethyl-3-(4-methoxyphenyl)-N-(2-sulfanylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-(4-methoxyphenyl)-N-(2-sulfanylpropyl)prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-(4-methoxyphenyl)-N-(2-sulfanylpropyl)prop-2-enamide is CCN(CC(C)S)C(=O)/C=C/c1ccc(OC)cc1.
What is the InChIKey of (E)-N-ethyl-3-(4-methoxyphenyl)-N-(2-sulfanylpropyl)prop-2-enamide?
The InChIKey is LZWDXFOFKYWUCI-JXMROGBWSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-4-16(11-12(2)19)15(17)10-7-13-5-8-14(18-3)9-6-13/h5-10,12,19H,4,11H2,1-3H3/b10-7+.
What are the key properties of (E)-N-ethyl-3-(4-methoxyphenyl)-N-(2-sulfanylpropyl)prop-2-enamide?
(E)-N-ethyl-3-(4-methoxyphenyl)-N-(2-sulfanylpropyl)prop-2-enamide has a molecular weight of 279.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-(4-methoxyphenyl)-N-(2-sulfanylpropyl)prop-2-enamide is sourced from PubChem (CID 146661377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).