2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

C23H22F2N2O2S — CID 46571477

IUPAC2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESO=C(CN1CCOC(c2ccc(F)cc2)C1)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C23H22F2N2O2S/c24-18-7-3-16(4-8-18)20-14-27(11-12-29-20)15-22(28)26-23(21-2-1-13-30-21)17-5-9-19(25)10-6-17/h1-10,13,20,23H,11-12,14-15H2,(H,26,28)
InChIKeyABWSFLLKZJMYOS-UHFFFAOYSA-N
MW428.50 g/mol
LogP4.31
Rot. Bonds6

About 2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 46571477) has the molecular formula C23H22F2N2O2S and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
PubChem CID46571477
Molecular FormulaC23H22F2N2O2S
Molecular Weight428.50 g/mol
Exact Mass428.14
IUPAC Name2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESO=C(CN1CCOC(c2ccc(F)cc2)C1)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C23H22F2N2O2S/c24-18-7-3-16(4-8-18)20-14-27(11-12-29-20)15-22(28)26-23(21-2-1-13-30-21)17-5-9-19(25)10-6-17/h1-10,13,20,23H,11-12,14-15H2,(H,26,28)
InChIKeyABWSFLLKZJMYOS-UHFFFAOYSA-N
XLogP4.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[4-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30622575
(3S,4S)-1-[2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120903
methyl 1-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754723
2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 36874378
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 55566155
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 41099176
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 111123159
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8623450
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 43036024
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 55410498
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 11930023
2-(azocan-1-ium-1-yl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8680042

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (CID 46571477) is 2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is O=C(CN1CCOC(c2ccc(F)cc2)C1)NC(c1ccc(F)cc1)c1cccs1.
What is the InChIKey of 2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is ABWSFLLKZJMYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O2S/c24-18-7-3-16(4-8-18)20-14-27(11-12-29-20)15-22(28)26-23(21-2-1-13-30-21)17-5-9-19(25)10-6-17/h1-10,13,20,23H,11-12,14-15H2,(H,26,28).
What are the key properties of 2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 428.50 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 46571477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).