(E)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide

C21H19NO3S — CID 139582326

IUPAC(E)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCOc1ccc(Oc2ccc(CNC(=O)/C=C/c3cccs3)cc2)cc1
InChIInChI=1S/C21H19NO3S/c1-24-17-8-10-19(11-9-17)25-18-6-4-16(5-7-18)15-22-21(23)13-12-20-3-2-14-26-20/h2-14H,15H2,1H3,(H,22,23)/b13-12+
InChIKeyNHSFDBYSBPBFRN-OUKQBFOZSA-N
MW365.45 g/mol
LogP4.88
Rot. Bonds7

About (E)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 139582326) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is (E)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID139582326
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC Name(E)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCOc1ccc(Oc2ccc(CNC(=O)/C=C/c3cccs3)cc2)cc1
InChIInChI=1S/C21H19NO3S/c1-24-17-8-10-19(11-9-17)25-18-6-4-16(5-7-18)15-22-21(23)13-12-20-3-2-14-26-20/h2-14H,15H2,1H3,(H,22,23)/b13-12+
InChIKeyNHSFDBYSBPBFRN-OUKQBFOZSA-N
XLogP4.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 2418056
4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]benzoic acid
CID 24698656
N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 4165696
N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 171136538
(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 2165477
(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 137442894
(E)-N-[[5-benzylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 42480423
(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448
N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 4103426
N-[(6-methyl-2-pyridinyl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 103598251
(E)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 2101513
(E)-N-[(4-bromophenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 61400451

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide (CID 139582326) is (E)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide is COc1ccc(Oc2ccc(CNC(=O)/C=C/c3cccs3)cc2)cc1.
What is the InChIKey of (E)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is NHSFDBYSBPBFRN-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-24-17-8-10-19(11-9-17)25-18-6-4-16(5-7-18)15-22-21(23)13-12-20-3-2-14-26-20/h2-14H,15H2,1H3,(H,22,23)/b13-12+.
What are the key properties of (E)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 365.45 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 139582326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).