(E)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylprop-2-enamide

C16H19NO3S — CID 71804520

IUPAC(E)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1cc(C(O)CCNC(=O)/C=C/c2cccs2)c(C)o1
InChIInChI=1S/C16H19NO3S/c1-11-10-14(12(2)20-11)15(18)7-8-17-16(19)6-5-13-4-3-9-21-13/h3-6,9-10,15,18H,7-8H2,1-2H3,(H,17,19)/b6-5+
InChIKeyZNJZLJXVSMTYIG-AATRIKPKSA-N
MW305.40 g/mol
LogP3.21
Rot. Bonds6

About (E)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 71804520) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is (E)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID71804520
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name(E)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1cc(C(O)CCNC(=O)/C=C/c2cccs2)c(C)o1
InChIInChI=1S/C16H19NO3S/c1-11-10-14(12(2)20-11)15(18)7-8-17-16(19)6-5-13-4-3-9-21-13/h3-6,9-10,15,18H,7-8H2,1-2H3,(H,17,19)/b6-5+
InChIKeyZNJZLJXVSMTYIG-AATRIKPKSA-N
XLogP3.21
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-hydroxy-4,4-dimethylpentyl)-3-thiophen-2-ylprop-2-enamide
CID 71960773
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 121133140
(E)-3-(1,3-benzodioxol-5-yl)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]prop-2-enamide
CID 71804550
(E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide
CID 887285
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-methylpropanamide
CID 121133010
(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride
CID 131668133
(E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 17407233
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide
CID 121133006
2-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzamide
CID 121133050
N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide
CID 97042845
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethylbenzamide
CID 121133041
(E)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 27708228

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylprop-2-enamide (CID 71804520) is (E)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylprop-2-enamide is Cc1cc(C(O)CCNC(=O)/C=C/c2cccs2)c(C)o1.
What is the InChIKey of (E)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is ZNJZLJXVSMTYIG-AATRIKPKSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-11-10-14(12(2)20-11)15(18)7-8-17-16(19)6-5-13-4-3-9-21-13/h3-6,9-10,15,18H,7-8H2,1-2H3,(H,17,19)/b6-5+.
What are the key properties of (E)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 305.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 71804520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).