cyclopropyl-[(4-fluorophenyl)methyl]-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]azanium

C23H23F2N2OS+ — CID 8906826

IUPACcyclopropyl-[(4-fluorophenyl)methyl]-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]azanium
SMILESO=C(C[NH+](Cc1ccc(F)cc1)C1CC1)N[C@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C23H22F2N2OS/c24-18-7-3-16(4-8-18)14-27(20-11-12-20)15-22(28)26-23(21-2-1-13-29-21)17-5-9-19(25)10-6-17/h1-10,13,20,23H,11-12,14-15H2,(H,26,28)/p+1/t23-/m1/s1
InChIKeyIHMCMNBKGIZKLJ-HSZRJFAPSA-O
MW413.51 g/mol
LogP3.48
Rot. Bonds8

About cyclopropyl-[(4-fluorophenyl)methyl]-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]azanium

cyclopropyl-[(4-fluorophenyl)methyl]-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]azanium (PubChem CID 8906826) has the molecular formula C23H23F2N2OS+ and a molecular weight of 413.51 g/mol. Its IUPAC name is cyclopropyl-[(4-fluorophenyl)methyl]-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[(4-fluorophenyl)methyl]-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]azanium
PubChem CID8906826
Molecular FormulaC23H23F2N2OS+
Molecular Weight413.51 g/mol
Exact Mass413.15
IUPAC Namecyclopropyl-[(4-fluorophenyl)methyl]-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]azanium
SMILESO=C(C[NH+](Cc1ccc(F)cc1)C1CC1)N[C@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C23H22F2N2OS/c24-18-7-3-16(4-8-18)14-27(20-11-12-20)15-22(28)26-23(21-2-1-13-29-21)17-5-9-19(25)10-6-17/h1-10,13,20,23H,11-12,14-15H2,(H,26,28)/p+1/t23-/m1/s1
InChIKeyIHMCMNBKGIZKLJ-HSZRJFAPSA-O
XLogP3.48
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cyclopropyl-[(4-fluorophenyl)methyl]-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8906889
1,3-benzodioxol-5-ylmethyl-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-methylazanium
CID 8924790
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 18279784
methyl 1-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754723
2-(azocan-1-ium-1-yl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8680042
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 46566131
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8623450
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 11930023
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide
CID 41038604
N-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 40820713
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide
CID 61258454

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(4-fluorophenyl)methyl]-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]azanium?
The IUPAC name of cyclopropyl-[(4-fluorophenyl)methyl]-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]azanium (CID 8906826) is cyclopropyl-[(4-fluorophenyl)methyl]-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for cyclopropyl-[(4-fluorophenyl)methyl]-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for cyclopropyl-[(4-fluorophenyl)methyl]-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]azanium is O=C(C[NH+](Cc1ccc(F)cc1)C1CC1)N[C@H](c1ccc(F)cc1)c1cccs1.
What is the InChIKey of cyclopropyl-[(4-fluorophenyl)methyl]-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]azanium?
The InChIKey is IHMCMNBKGIZKLJ-HSZRJFAPSA-O. The full InChI is InChI=1S/C23H22F2N2OS/c24-18-7-3-16(4-8-18)14-27(20-11-12-20)15-22(28)26-23(21-2-1-13-29-21)17-5-9-19(25)10-6-17/h1-10,13,20,23H,11-12,14-15H2,(H,26,28)/p+1/t23-/m1/s1.
What are the key properties of cyclopropyl-[(4-fluorophenyl)methyl]-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]azanium?
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]azanium has a molecular weight of 413.51 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(4-fluorophenyl)methyl]-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8906826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).