N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C16H14FNO3S — CID 17455291

IUPACN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)c1cccs1)C1=COCCO1
InChIInChI=1S/C16H14FNO3S/c17-12-5-3-11(4-6-12)15(14-2-1-9-22-14)18-16(19)13-10-20-7-8-21-13/h1-6,9-10,15H,7-8H2,(H,18,19)
InChIKeyBSGOJENMQHTRQU-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.98
Rot. Bonds4

About N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 17455291) has the molecular formula C16H14FNO3S and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID17455291
Molecular FormulaC16H14FNO3S
Molecular Weight319.36 g/mol
Exact Mass319.07
IUPAC NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)c1cccs1)C1=COCCO1
InChIInChI=1S/C16H14FNO3S/c17-12-5-3-11(4-6-12)15(14-2-1-9-22-14)18-16(19)13-10-20-7-8-21-13/h1-6,9-10,15H,7-8H2,(H,18,19)
InChIKeyBSGOJENMQHTRQU-UHFFFAOYSA-N
XLogP2.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide 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-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46601354
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 46566131
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
CID 25435351
2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 51135593
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide
CID 17404206
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46566188
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 46564820
4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 43021916
1-(4-fluorophenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43393729
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 46566179

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 17455291) is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(NC(c1ccc(F)cc1)c1cccs1)C1=COCCO1.
What is the InChIKey of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is BSGOJENMQHTRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3S/c17-12-5-3-11(4-6-12)15(14-2-1-9-22-14)18-16(19)13-10-20-7-8-21-13/h1-6,9-10,15H,7-8H2,(H,18,19).
What are the key properties of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 17455291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).