(E)-N-[[4-(2-hydroxyethoxy)thian-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide

C15H21NO3S2 — CID 134161814

IUPAC(E)-N-[[4-(2-hydroxyethoxy)thian-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCC1(OCCO)CCSCC1
InChIInChI=1S/C15H21NO3S2/c17-7-8-19-15(5-10-20-11-6-15)12-16-14(18)4-3-13-2-1-9-21-13/h1-4,9,17H,5-8,10-12H2,(H,16,18)/b4-3+
InChIKeyWNZYFIUHOCBGPJ-ONEGZZNKSA-N
MW327.47 g/mol
LogP2.15
Rot. Bonds7

About (E)-N-[[4-(2-hydroxyethoxy)thian-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[[4-(2-hydroxyethoxy)thian-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 134161814) has the molecular formula C15H21NO3S2 and a molecular weight of 327.47 g/mol. Its IUPAC name is (E)-N-[[4-(2-hydroxyethoxy)thian-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[4-(2-hydroxyethoxy)thian-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID134161814
Molecular FormulaC15H21NO3S2
Molecular Weight327.47 g/mol
Exact Mass327.10
IUPAC Name(E)-N-[[4-(2-hydroxyethoxy)thian-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCC1(OCCO)CCSCC1
InChIInChI=1S/C15H21NO3S2/c17-7-8-19-15(5-10-20-11-6-15)12-16-14(18)4-3-13-2-1-9-21-13/h1-4,9,17H,5-8,10-12H2,(H,16,18)/b4-3+
InChIKeyWNZYFIUHOCBGPJ-ONEGZZNKSA-N
XLogP2.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2-hydroxyethoxy)thian-4-yl]methyl]-3-phenylprop-2-enamide
CID 171136928
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-(furan-2-yl)-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]prop-2-enamide
CID 131702304
(E)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 110208296
(E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 82994511
(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride
CID 131668133
(E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 91817472
(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
N-[[3-(2-hydroxyethoxy)thiolan-3-yl]methyl]-2-phenylmethoxyacetamide
CID 134161639

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-(2-hydroxyethoxy)thian-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[[4-(2-hydroxyethoxy)thian-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide (CID 134161814) is (E)-N-[[4-(2-hydroxyethoxy)thian-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[[4-(2-hydroxyethoxy)thian-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[[4-(2-hydroxyethoxy)thian-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NCC1(OCCO)CCSCC1.
What is the InChIKey of (E)-N-[[4-(2-hydroxyethoxy)thian-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is WNZYFIUHOCBGPJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H21NO3S2/c17-7-8-19-15(5-10-20-11-6-15)12-16-14(18)4-3-13-2-1-9-21-13/h1-4,9,17H,5-8,10-12H2,(H,16,18)/b4-3+.
What are the key properties of (E)-N-[[4-(2-hydroxyethoxy)thian-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[[4-(2-hydroxyethoxy)thian-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 327.47 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-(2-hydroxyethoxy)thian-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 134161814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).