3-thiophen-2-yl-N-[(1-thiophen-2-ylcyclopentyl)methyl]prop-2-enamide

C17H19NOS2 — CID 71960903

IUPAC3-thiophen-2-yl-N-[(1-thiophen-2-ylcyclopentyl)methyl]prop-2-enamide
SMILESO=C(C=Cc1cccs1)NCC1(c2cccs2)CCCC1
InChIInChI=1S/C17H19NOS2/c19-16(8-7-14-5-3-11-20-14)18-13-17(9-1-2-10-17)15-6-4-12-21-15/h3-8,11-12H,1-2,9-10,13H2,(H,18,19)
InChIKeyVNUBEUQVNCMPCL-UHFFFAOYSA-N
MW317.48 g/mol
LogP4.45
Rot. Bonds5

About 3-thiophen-2-yl-N-[(1-thiophen-2-ylcyclopentyl)methyl]prop-2-enamide

3-thiophen-2-yl-N-[(1-thiophen-2-ylcyclopentyl)methyl]prop-2-enamide (PubChem CID 71960903) has the molecular formula C17H19NOS2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 3-thiophen-2-yl-N-[(1-thiophen-2-ylcyclopentyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-thiophen-2-yl-N-[(1-thiophen-2-ylcyclopentyl)methyl]prop-2-enamide
PubChem CID71960903
Molecular FormulaC17H19NOS2
Molecular Weight317.48 g/mol
Exact Mass317.09
IUPAC Name3-thiophen-2-yl-N-[(1-thiophen-2-ylcyclopentyl)methyl]prop-2-enamide
SMILESO=C(C=Cc1cccs1)NCC1(c2cccs2)CCCC1
InChIInChI=1S/C17H19NOS2/c19-16(8-7-14-5-3-11-20-14)18-13-17(9-1-2-10-17)15-6-4-12-21-15/h3-8,11-12H,1-2,9-10,13H2,(H,18,19)
InChIKeyVNUBEUQVNCMPCL-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 115362327
(E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 91817472
3-phenyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]prop-2-enamide
CID 71961166
N-[(4-hydroxythian-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 111486609
2-[1-(3-thiophen-2-ylprop-2-enoylamino)cyclohexyl]acetic acid
CID 77058374
(E)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 110208296
7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride
CID 119799163
(E)-N-cyclopentyl-3-thiophen-2-ylprop-2-enamide
CID 2164351
3-thiophen-2-yl-N-[[1,3,3-trimethyl-5-(3-thiophen-2-ylprop-2-enoylamino)cyclohexyl]methyl]prop-2-enamide
CID 4227461
(2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide
CID 119332541
1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea
CID 111440825
N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 76948189

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-N-[(1-thiophen-2-ylcyclopentyl)methyl]prop-2-enamide?
The IUPAC name of 3-thiophen-2-yl-N-[(1-thiophen-2-ylcyclopentyl)methyl]prop-2-enamide (CID 71960903) is 3-thiophen-2-yl-N-[(1-thiophen-2-ylcyclopentyl)methyl]prop-2-enamide.
What is the SMILES notation for 3-thiophen-2-yl-N-[(1-thiophen-2-ylcyclopentyl)methyl]prop-2-enamide?
The canonical SMILES for 3-thiophen-2-yl-N-[(1-thiophen-2-ylcyclopentyl)methyl]prop-2-enamide is O=C(C=Cc1cccs1)NCC1(c2cccs2)CCCC1.
What is the InChIKey of 3-thiophen-2-yl-N-[(1-thiophen-2-ylcyclopentyl)methyl]prop-2-enamide?
The InChIKey is VNUBEUQVNCMPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS2/c19-16(8-7-14-5-3-11-20-14)18-13-17(9-1-2-10-17)15-6-4-12-21-15/h3-8,11-12H,1-2,9-10,13H2,(H,18,19).
What are the key properties of 3-thiophen-2-yl-N-[(1-thiophen-2-ylcyclopentyl)methyl]prop-2-enamide?
3-thiophen-2-yl-N-[(1-thiophen-2-ylcyclopentyl)methyl]prop-2-enamide has a molecular weight of 317.48 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-N-[(1-thiophen-2-ylcyclopentyl)methyl]prop-2-enamide is sourced from PubChem (CID 71960903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).