(5-chlorothiophen-2-yl)methyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylazanium

C17H20ClF2N2O2S+ — CID 8787296

IUPAC(5-chlorothiophen-2-yl)methyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NCCc1ccc(OC(F)F)cc1)Cc1ccc(Cl)s1
InChIInChI=1S/C17H19ClF2N2O2S/c1-22(10-14-6-7-15(18)25-14)11-16(23)21-9-8-12-2-4-13(5-3-12)24-17(19)20/h2-7,17H,8-11H2,1H3,(H,21,23)/p+1
InChIKeyWHYOQBCXPRCAJZ-UHFFFAOYSA-O
MW389.88 g/mol
LogP2.38
Rot. Bonds9

About (5-chlorothiophen-2-yl)methyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylazanium

(5-chlorothiophen-2-yl)methyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylazanium (PubChem CID 8787296) has the molecular formula C17H20ClF2N2O2S+ and a molecular weight of 389.88 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)methyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)methyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylazanium
PubChem CID8787296
Molecular FormulaC17H20ClF2N2O2S+
Molecular Weight389.88 g/mol
Exact Mass389.09
IUPAC Name(5-chlorothiophen-2-yl)methyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NCCc1ccc(OC(F)F)cc1)Cc1ccc(Cl)s1
InChIInChI=1S/C17H19ClF2N2O2S/c1-22(10-14-6-7-15(18)25-14)11-16(23)21-9-8-12-2-4-13(5-3-12)24-17(19)20/h2-7,17H,8-11H2,1H3,(H,21,23)/p+1
InChIKeyWHYOQBCXPRCAJZ-UHFFFAOYSA-O
XLogP2.38
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-chlorothiophen-2-yl)methyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
[4-(difluoromethoxy)phenyl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8709316
cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8906875
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 8912391
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8847365
(5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium
CID 9136480
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 94018114
[2-(1-adamantylmethylamino)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium
CID 9293505
2-(2,4-dichlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 18267777
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023767
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 8637595
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123290

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)methyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylazanium?
The IUPAC name of (5-chlorothiophen-2-yl)methyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylazanium (CID 8787296) is (5-chlorothiophen-2-yl)methyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for (5-chlorothiophen-2-yl)methyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylazanium?
The canonical SMILES for (5-chlorothiophen-2-yl)methyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylazanium is C[NH+](CC(=O)NCCc1ccc(OC(F)F)cc1)Cc1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)methyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylazanium?
The InChIKey is WHYOQBCXPRCAJZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H19ClF2N2O2S/c1-22(10-14-6-7-15(18)25-14)11-16(23)21-9-8-12-2-4-13(5-3-12)24-17(19)20/h2-7,17H,8-11H2,1H3,(H,21,23)/p+1.
What are the key properties of (5-chlorothiophen-2-yl)methyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylazanium?
(5-chlorothiophen-2-yl)methyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylazanium has a molecular weight of 389.88 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)methyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8787296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).