4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]-N-propylthiophene-2-carboxamide

C18H21NO2S — CID 19484731

IUPAC4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]-N-propylthiophene-2-carboxamide
SMILESC/C=C/c1ccccc1OCc1csc(C(=O)NCCC)c1
InChIInChI=1S/C18H21NO2S/c1-3-7-15-8-5-6-9-16(15)21-12-14-11-17(22-13-14)18(20)19-10-4-2/h3,5-9,11,13H,4,10,12H2,1-2H3,(H,19,20)/b7-3+
InChIKeyKRXOLHVDGTWZHB-XVNBXDOJSA-N
MW315.44 g/mol
LogP4.50
Rot. Bonds7

About 4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]-N-propylthiophene-2-carboxamide

4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]-N-propylthiophene-2-carboxamide (PubChem CID 19484731) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]-N-propylthiophene-2-carboxamide
PubChem CID19484731
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]-N-propylthiophene-2-carboxamide
SMILESC/C=C/c1ccccc1OCc1csc(C(=O)NCCC)c1
InChIInChI=1S/C18H21NO2S/c1-3-7-15-8-5-6-9-16(15)21-12-14-11-17(22-13-14)18(20)19-10-4-2/h3,5-9,11,13H,4,10,12H2,1-2H3,(H,19,20)/b7-3+
InChIKeyKRXOLHVDGTWZHB-XVNBXDOJSA-N
XLogP4.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide
CID 19484709
N-(2-methoxy-5-methylphenyl)-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide
CID 19484703
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide
CID 19484764
N-butyl-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471741
4-[(2,4-difluorophenoxy)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide
CID 19469744
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophen-2-yl]methanone
CID 19484749
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophen-2-yl]methanone
CID 19484746
N-cyclopentyl-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19486863
N-butyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491241
4-[(2-chlorophenoxy)methyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide
CID 19503232
N-[[3-[(2-prop-1-enylphenoxy)methyl]phenyl]methyl]ethanamine
CID 76943625
N-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19486859

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]-N-propylthiophene-2-carboxamide?
The IUPAC name of 4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]-N-propylthiophene-2-carboxamide (CID 19484731) is 4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]-N-propylthiophene-2-carboxamide?
The canonical SMILES for 4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]-N-propylthiophene-2-carboxamide is C/C=C/c1ccccc1OCc1csc(C(=O)NCCC)c1.
What is the InChIKey of 4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]-N-propylthiophene-2-carboxamide?
The InChIKey is KRXOLHVDGTWZHB-XVNBXDOJSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-3-7-15-8-5-6-9-16(15)21-12-14-11-17(22-13-14)18(20)19-10-4-2/h3,5-9,11,13H,4,10,12H2,1-2H3,(H,19,20)/b7-3+.
What are the key properties of 4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]-N-propylthiophene-2-carboxamide?
4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]-N-propylthiophene-2-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 19484731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).