(E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide

C19H23NO2S2 — CID 91817472

IUPAC(E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCC(O)c1ccc(C2(CNC(=O)/C=C/c3cccs3)CCCC2)s1
InChIInChI=1S/C19H23NO2S2/c1-14(21)16-7-8-17(24-16)19(10-2-3-11-19)13-20-18(22)9-6-15-5-4-12-23-15/h4-9,12,14,21H,2-3,10-11,13H2,1H3,(H,20,22)/b9-6+
InChIKeyBYSFKTGIICAACL-RMKNXTFCSA-N
MW361.53 g/mol
LogP4.50
Rot. Bonds6

About (E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 91817472) has the molecular formula C19H23NO2S2 and a molecular weight of 361.53 g/mol. Its IUPAC name is (E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID91817472
Molecular FormulaC19H23NO2S2
Molecular Weight361.53 g/mol
Exact Mass361.12
IUPAC Name(E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCC(O)c1ccc(C2(CNC(=O)/C=C/c3cccs3)CCCC2)s1
InChIInChI=1S/C19H23NO2S2/c1-14(21)16-7-8-17(24-16)19(10-2-3-11-19)13-20-18(22)9-6-15-5-4-12-23-15/h4-9,12,14,21H,2-3,10-11,13H2,1H3,(H,20,22)/b9-6+
InChIKeyBYSFKTGIICAACL-RMKNXTFCSA-N
XLogP4.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-thiophen-2-yl-N-[(1-thiophen-2-ylcyclopentyl)methyl]prop-2-enamide
CID 71960903
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 121178927
(E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 115362327
N-[[1-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 100720415
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide
CID 91817514
2-(2,5-dioxopyrrolidin-1-yl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 91817474
2-fluoro-N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 100720519
1-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-(4-methylphenyl)urea
CID 121179304
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]naphthalene-1-carboxamide
CID 121178997
[1-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate
CID 100721399
1-(3,5-dimethylphenyl)-3-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]urea
CID 121179309
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-phenyloxane-4-carboxamide
CID 121179056

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide (CID 91817472) is (E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide is CC(O)c1ccc(C2(CNC(=O)/C=C/c3cccs3)CCCC2)s1.
What is the InChIKey of (E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is BYSFKTGIICAACL-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H23NO2S2/c1-14(21)16-7-8-17(24-16)19(10-2-3-11-19)13-20-18(22)9-6-15-5-4-12-23-15/h4-9,12,14,21H,2-3,10-11,13H2,1H3,(H,20,22)/b9-6+.
What are the key properties of (E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 361.53 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 91817472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).