2-fluoro-N-[2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide

C19H22FN3O3S — CID 39951277

IUPAC2-fluoro-N-[2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1F)NC[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C19H22FN3O3S/c20-15-5-2-1-4-14(15)19(25)22-13-18(24)21-12-16(17-6-3-11-27-17)23-7-9-26-10-8-23/h1-6,11,16H,7-10,12-13H2,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKeyYWOGNKHEOURSTF-INIZCTEOSA-N
MW391.47 g/mol
LogP1.81
Rot. Bonds7

About 2-fluoro-N-[2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide

2-fluoro-N-[2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide (PubChem CID 39951277) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-fluoro-N-[2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide
PubChem CID39951277
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name2-fluoro-N-[2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1F)NC[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C19H22FN3O3S/c20-15-5-2-1-4-14(15)19(25)22-13-18(24)21-12-16(17-6-3-11-27-17)23-7-9-26-10-8-23/h1-6,11,16H,7-10,12-13H2,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKeyYWOGNKHEOURSTF-INIZCTEOSA-N
XLogP1.81
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N-[2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide with MolForge

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Related Compounds

5-chloro-2-fluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18148637
2-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
CID 18161663
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide
CID 39951261
2-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 167860438
2-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 4964221
N'-(2-fluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide
CID 30835113
N'-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide
CID 18589172
2-(methanesulfonamido)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 25335311
2-(methanesulfonamido)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 42940388
1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-3-carboxamide
CID 55650784
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 94180353
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-phenoxyacetamide
CID 2316164

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide (CID 39951277) is 2-fluoro-N-[2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1F)NC[C@@H](c1cccs1)N1CCOCC1.
What is the InChIKey of 2-fluoro-N-[2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is YWOGNKHEOURSTF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c20-15-5-2-1-4-14(15)19(25)22-13-18(24)21-12-16(17-6-3-11-27-17)23-7-9-26-10-8-23/h1-6,11,16H,7-10,12-13H2,(H,21,24)(H,22,25)/t16-/m0/s1.
What are the key properties of 2-fluoro-N-[2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 391.47 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 39951277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).