(2,3-dimethoxyphenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium

C19H25N2O3S+ — CID 2699286

IUPAC(2,3-dimethoxyphenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
SMILESCOc1cccc(C[NH+](C)CC(=O)Nc2ccccc2SC)c1OC
InChIInChI=1S/C19H24N2O3S/c1-21(12-14-8-7-10-16(23-2)19(14)24-3)13-18(22)20-15-9-5-6-11-17(15)25-4/h5-11H,12-13H2,1-4H3,(H,20,22)/p+1
InChIKeyBARYLEBEMDSVMA-UHFFFAOYSA-O
MW361.49 g/mol
LogP2.08
Rot. Bonds8

About (2,3-dimethoxyphenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium

(2,3-dimethoxyphenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium (PubChem CID 2699286) has the molecular formula C19H25N2O3S+ and a molecular weight of 361.49 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
PubChem CID2699286
Molecular FormulaC19H25N2O3S+
Molecular Weight361.49 g/mol
Exact Mass361.16
IUPAC Name(2,3-dimethoxyphenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
SMILESCOc1cccc(C[NH+](C)CC(=O)Nc2ccccc2SC)c1OC
InChIInChI=1S/C19H24N2O3S/c1-21(12-14-8-7-10-16(23-2)19(14)24-3)13-18(22)20-15-9-5-6-11-17(15)25-4/h5-11H,12-13H2,1-4H3,(H,20,22)/p+1
InChIKeyBARYLEBEMDSVMA-UHFFFAOYSA-O
XLogP2.08
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
CID 8709121
(2-methoxyphenyl)methyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 2548867
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
CID 9196538
(2,3-dimethoxyphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9196682
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
CID 9196740
[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9105955
[2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
CID 2699246
(4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 7998678
2-(2-fluorophenoxy)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9166330
(2,3-dimethoxyphenyl)methyl-methyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8709137
(2,3-dimethoxyphenyl)methyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-methylazanium
CID 8709146
(2-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9035205

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium?
The IUPAC name of (2,3-dimethoxyphenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium (CID 2699286) is (2,3-dimethoxyphenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for (2,3-dimethoxyphenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium?
The canonical SMILES for (2,3-dimethoxyphenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium is COc1cccc(C[NH+](C)CC(=O)Nc2ccccc2SC)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium?
The InChIKey is BARYLEBEMDSVMA-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O3S/c1-21(12-14-8-7-10-16(23-2)19(14)24-3)13-18(22)20-15-9-5-6-11-17(15)25-4/h5-11H,12-13H2,1-4H3,(H,20,22)/p+1.
What are the key properties of (2,3-dimethoxyphenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium?
(2,3-dimethoxyphenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium has a molecular weight of 361.49 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 2699286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).