(5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium

C20H20ClN2O2S+ — CID 9294082

IUPAC(5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium
SMILESC[NH+](CC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccc(Cl)s1
InChIInChI=1S/C20H19ClN2O2S/c1-23(13-16-11-12-19(21)26-16)14-20(24)22-17-9-5-6-10-18(17)25-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,22,24)/p+1
InChIKeyPVBLKMIVXRRGTK-UHFFFAOYSA-O
MW387.91 g/mol
LogP3.85
Rot. Bonds7

About (5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium

(5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium (PubChem CID 9294082) has the molecular formula C20H20ClN2O2S+ and a molecular weight of 387.91 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium
PubChem CID9294082
Molecular FormulaC20H20ClN2O2S+
Molecular Weight387.91 g/mol
Exact Mass387.09
IUPAC Name(5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium
SMILESC[NH+](CC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccc(Cl)s1
InChIInChI=1S/C20H19ClN2O2S/c1-23(13-16-11-12-19(21)26-16)14-20(24)22-17-9-5-6-10-18(17)25-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,22,24)/p+1
InChIKeyPVBLKMIVXRRGTK-UHFFFAOYSA-O
XLogP3.85
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium
CID 9251939
(5-chlorothiophen-2-yl)methyl-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9294261
5-chloro-N-(2-phenoxyphenyl)thiophene-2-carboxamide
CID 841081
(5-chlorothiophen-2-yl)methyl-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-methylazanium
CID 8556067
[2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797774
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
[2-(tert-butylamino)-2-oxoethyl]-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]-methylazanium
CID 8767029
[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049483
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
(2,4-dichlorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9196953
[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium
CID 9047473
2-(2-chloroanilino)-N-(2-phenoxyphenyl)acetamide
CID 9098717

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium?
The IUPAC name of (5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium (CID 9294082) is (5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium.
What is the SMILES notation for (5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium?
The canonical SMILES for (5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium is C[NH+](CC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium?
The InChIKey is PVBLKMIVXRRGTK-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H19ClN2O2S/c1-23(13-16-11-12-19(21)26-16)14-20(24)22-17-9-5-6-10-18(17)25-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,22,24)/p+1.
What are the key properties of (5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium?
(5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium has a molecular weight of 387.91 g/mol, XLogP of 3.85, 7 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-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium is sourced from PubChem (CID 9294082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).