(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide

C20H24ClNO3S — CID 24655695

IUPAC(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C20H24ClNO3S/c1-5-22(13-16-8-10-19(21)26-16)20(23)11-7-15-6-9-17(25-14(2)3)18(12-15)24-4/h6-12,14H,5,13H2,1-4H3/b11-7+
InChIKeyUGNFTEPELGBGCD-YRNVUSSQSA-N
MW393.94 g/mol
LogP5.26
Rot. Bonds8

About (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide

(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide (PubChem CID 24655695) has the molecular formula C20H24ClNO3S and a molecular weight of 393.94 g/mol. Its IUPAC name is (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
PubChem CID24655695
Molecular FormulaC20H24ClNO3S
Molecular Weight393.94 g/mol
Exact Mass393.12
IUPAC Name(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C20H24ClNO3S/c1-5-22(13-16-8-10-19(21)26-16)20(23)11-7-15-6-9-17(25-14(2)3)18(12-15)24-4/h6-12,14H,5,13H2,1-4H3/b11-7+
InChIKeyUGNFTEPELGBGCD-YRNVUSSQSA-N
XLogP5.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.94
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-methoxy-4-propan-2-yloxyphenyl)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

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 85497226
(E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide
CID 6057475
(E)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-ethylprop-2-enamide
CID 34169888
methyl (E)-3-[4-[(5-chlorothiophen-2-yl)methoxy]-3-methoxyphenyl]prop-2-enoate
CID 30597416
(E)-N-cyclohexyl-N-cyclopropyl-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 55587895
(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 9107617
[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 9010975
(E)-N-(2-methoxyethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 55979626
3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 719513
(4-chlorophenyl) (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 19180914
(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]prop-2-enamide
CID 9493553
(E)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 46647935

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide (CID 24655695) is (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide is CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccc(OC(C)C)c(OC)c1.
What is the InChIKey of (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide?
The InChIKey is UGNFTEPELGBGCD-YRNVUSSQSA-N. The full InChI is InChI=1S/C20H24ClNO3S/c1-5-22(13-16-8-10-19(21)26-16)20(23)11-7-15-6-9-17(25-14(2)3)18(12-15)24-4/h6-12,14H,5,13H2,1-4H3/b11-7+.
What are the key properties of (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide?
(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide has a molecular weight of 393.94 g/mol, XLogP of 5.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide is sourced from PubChem (CID 24655695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).