(E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide

C18H18N2O2S — CID 97414072

IUPAC(E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide
SMILESCn1cc([C@@H](O)CNC(=O)/C=C/c2ccsc2)c2ccccc21
InChIInChI=1S/C18H18N2O2S/c1-20-11-15(14-4-2-3-5-16(14)20)17(21)10-19-18(22)7-6-13-8-9-23-12-13/h2-9,11-12,17,21H,10H2,1H3,(H,19,22)/b7-6+/t17-/m0/s1
InChIKeyUXLMBOZCKMQQHB-LXXRFIIISA-N
MW326.42 g/mol
LogP3.10
Rot. Bonds5

About (E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide

(E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide (PubChem CID 97414072) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is (E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide
PubChem CID97414072
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name(E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide
SMILESCn1cc([C@@H](O)CNC(=O)/C=C/c2ccsc2)c2ccccc21
InChIInChI=1S/C18H18N2O2S/c1-20-11-15(14-4-2-3-5-16(14)20)17(21)10-19-18(22)7-6-13-8-9-23-12-13/h2-9,11-12,17,21H,10H2,1H3,(H,19,22)/b7-6+/t17-/m0/s1
InChIKeyUXLMBOZCKMQQHB-LXXRFIIISA-N
XLogP3.10
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-3-ylprop-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-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-phenylprop-2-enamide
CID 97414006
(E)-N-(2-hydroxy-3-phenylpropyl)-3-thiophen-3-ylprop-2-enamide
CID 56765287
(E)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-thiophen-3-ylprop-2-enamide
CID 95367859
(E)-N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-thiophen-3-ylprop-2-enamide
CID 71810505
1-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 97416736
1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
CID 90535339
2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 71788673
1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 71788722
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide
CID 97414049
N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535246
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 90535108
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide
CID 90535044

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide (CID 97414072) is (E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide is Cn1cc([C@@H](O)CNC(=O)/C=C/c2ccsc2)c2ccccc21.
What is the InChIKey of (E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide?
The InChIKey is UXLMBOZCKMQQHB-LXXRFIIISA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-20-11-15(14-4-2-3-5-16(14)20)17(21)10-19-18(22)7-6-13-8-9-23-12-13/h2-9,11-12,17,21H,10H2,1H3,(H,19,22)/b7-6+/t17-/m0/s1.
What are the key properties of (E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide?
(E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide has a molecular weight of 326.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 97414072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).