(E)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide

C17H17NO2S — CID 110208296

IUPAC(E)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCC1(O)Cc2ccccc2C1
InChIInChI=1S/C17H17NO2S/c19-16(8-7-15-6-3-9-21-15)18-12-17(20)10-13-4-1-2-5-14(13)11-17/h1-9,20H,10-12H2,(H,18,19)/b8-7+
InChIKeyPDPDNAWPZNKRBY-BQYQJAHWSA-N
MW299.40 g/mol
LogP2.41
Rot. Bonds4

About (E)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 110208296) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is (E)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID110208296
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name(E)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCC1(O)Cc2ccccc2C1
InChIInChI=1S/C17H17NO2S/c19-16(8-7-15-6-3-9-21-15)18-12-17(20)10-13-4-1-2-5-14(13)11-17/h1-9,20H,10-12H2,(H,18,19)/b8-7+
InChIKeyPDPDNAWPZNKRBY-BQYQJAHWSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-hydroxythian-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 111486609
(E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 115362327
3-thiophen-2-yl-N-[(1-thiophen-2-ylcyclopentyl)methyl]prop-2-enamide
CID 71960903
(E)-3-(2-chlorophenyl)-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]prop-2-enamide
CID 97042622
(E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 17407233
N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 76948189
(E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide
CID 887285
(E)-N-[[4-(2-hydroxyethoxy)thian-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 134161814
N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 4165696
4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]butanoic acid
CID 24708663
3-thiophen-2-yl-N-[[1,3,3-trimethyl-5-(3-thiophen-2-ylprop-2-enoylamino)cyclohexyl]methyl]prop-2-enamide
CID 4227461
(E)-N-[(2S)-2-hydroxy-2-phenylpropyl]-3-thiophen-2-ylprop-2-enamide
CID 95367977

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide (CID 110208296) is (E)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NCC1(O)Cc2ccccc2C1.
What is the InChIKey of (E)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is PDPDNAWPZNKRBY-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H17NO2S/c19-16(8-7-15-6-3-9-21-15)18-12-17(20)10-13-4-1-2-5-14(13)11-17/h1-9,20H,10-12H2,(H,18,19)/b8-7+.
What are the key properties of (E)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 299.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 110208296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).