N-ethyl-2-fluoro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide

C16H17FN2O2S — CID 2534425

IUPACN-ethyl-2-fluoro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1ccccc1F
InChIInChI=1S/C16H17FN2O2S/c1-2-19(16(21)13-7-3-4-8-14(13)17)11-15(20)18-10-12-6-5-9-22-12/h3-9H,2,10-11H2,1H3,(H,18,20)
InChIKeyDRBHTTMSSXFIIQ-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.67
Rot. Bonds6

About N-ethyl-2-fluoro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide

N-ethyl-2-fluoro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide (PubChem CID 2534425) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
PubChem CID2534425
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC NameN-ethyl-2-fluoro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1ccccc1F
InChIInChI=1S/C16H17FN2O2S/c1-2-19(16(21)13-7-3-4-8-14(13)17)11-15(20)18-10-12-6-5-9-22-12/h3-9H,2,10-11H2,1H3,(H,18,20)
InChIKeyDRBHTTMSSXFIIQ-UHFFFAOYSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-dicarboxamide
CID 10017099
Thiophene derivative, 3d
CID 15984018
Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3c
CID 25023797
Thiophene derivative, 3e
CID 25023798
3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
4-[(3R)-3-{[2-oxo-2-(thiophen-3-yl)ethyl]amino}butyl]benzamide
CID 23647084
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The IUPAC name of N-ethyl-2-fluoro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide (CID 2534425) is N-ethyl-2-fluoro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The canonical SMILES for N-ethyl-2-fluoro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide is CCN(CC(=O)NCc1cccs1)C(=O)c1ccccc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The InChIKey is DRBHTTMSSXFIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-2-19(16(21)13-7-3-4-8-14(13)17)11-15(20)18-10-12-6-5-9-22-12/h3-9H,2,10-11H2,1H3,(H,18,20).
What are the key properties of N-ethyl-2-fluoro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
N-ethyl-2-fluoro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide has a molecular weight of 320.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 2534425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).