N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]pent-4-enamide

C12H17NO2S — CID 97427131

IUPACN-[(2S)-2-methoxy-2-thiophen-3-ylethyl]pent-4-enamide
SMILESC=CCCC(=O)NC[C@@H](OC)c1ccsc1
InChIInChI=1S/C12H17NO2S/c1-3-4-5-12(14)13-8-11(15-2)10-6-7-16-9-10/h3,6-7,9,11H,1,4-5,8H2,2H3,(H,13,14)/t11-/m1/s1
InChIKeyPMBSIXYPWDOKMA-LLVKDONJSA-N
MW239.34 g/mol
LogP2.52
Rot. Bonds7

About N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]pent-4-enamide

N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]pent-4-enamide (PubChem CID 97427131) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]pent-4-enamide.

Molecular Properties

Compound NameN-[(2S)-2-methoxy-2-thiophen-3-ylethyl]pent-4-enamide
PubChem CID97427131
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-[(2S)-2-methoxy-2-thiophen-3-ylethyl]pent-4-enamide
SMILESC=CCCC(=O)NC[C@@H](OC)c1ccsc1
InChIInChI=1S/C12H17NO2S/c1-3-4-5-12(14)13-8-11(15-2)10-6-7-16-9-10/h3,6-7,9,11H,1,4-5,8H2,2H3,(H,13,14)/t11-/m1/s1
InChIKeyPMBSIXYPWDOKMA-LLVKDONJSA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-2-thiophen-3-ylethyl)pentanamide
CID 90583823
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]pent-4-enamide
CID 90598306
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate
CID 71804729
2-(2-methoxyphenoxy)-N-(2-methoxy-2-thiophen-3-ylethyl)acetamide
CID 90583918
1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414529
2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583915
4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 97427365
1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414533
4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583852
2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583943
1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea
CID 90584205

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]pent-4-enamide?
The IUPAC name of N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]pent-4-enamide (CID 97427131) is N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]pent-4-enamide.
What is the SMILES notation for N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]pent-4-enamide?
The canonical SMILES for N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]pent-4-enamide is C=CCCC(=O)NC[C@@H](OC)c1ccsc1.
What is the InChIKey of N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]pent-4-enamide?
The InChIKey is PMBSIXYPWDOKMA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-3-4-5-12(14)13-8-11(15-2)10-6-7-16-9-10/h3,6-7,9,11H,1,4-5,8H2,2H3,(H,13,14)/t11-/m1/s1.
What are the key properties of N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]pent-4-enamide?
N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]pent-4-enamide has a molecular weight of 239.34 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]pent-4-enamide is sourced from PubChem (CID 97427131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).