(3-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium

C22H25N2O2S+ — CID 8789153

IUPAC(3-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
SMILESCOc1cccc(C[NH+](C)CC(=O)N[C@@H](c2ccccc2)c2cccs2)c1
InChIInChI=1S/C22H24N2O2S/c1-24(15-17-8-6-11-19(14-17)26-2)16-21(25)23-22(20-12-7-13-27-20)18-9-4-3-5-10-18/h3-14,22H,15-16H2,1-2H3,(H,23,25)/p+1/t22-/m0/s1
InChIKeyQPSCTISCPVPFNW-QFIPXVFZSA-O
MW381.52 g/mol
LogP2.68
Rot. Bonds8

About (3-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium

(3-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium (PubChem CID 8789153) has the molecular formula C22H25N2O2S+ and a molecular weight of 381.52 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
PubChem CID8789153
Molecular FormulaC22H25N2O2S+
Molecular Weight381.52 g/mol
Exact Mass381.16
IUPAC Name(3-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
SMILESCOc1cccc(C[NH+](C)CC(=O)N[C@@H](c2ccccc2)c2cccs2)c1
InChIInChI=1S/C22H24N2O2S/c1-24(15-17-8-6-11-19(14-17)26-2)16-21(25)23-22(20-12-7-13-27-20)18-9-4-3-5-10-18/h3-14,22H,15-16H2,1-2H3,(H,23,25)/p+1/t22-/m0/s1
InChIKeyQPSCTISCPVPFNW-QFIPXVFZSA-O
XLogP2.68
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium with MolForge

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Related Compounds

(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8845954
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8805898
3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820699
[2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8695217
methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium
CID 8790275
3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 8854024
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8847189
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676
1,3-benzodioxol-5-ylmethyl-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-methylazanium
CID 8924790
[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805882
(3-methoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 2656717

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium?
The IUPAC name of (3-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium (CID 8789153) is (3-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium.
What is the SMILES notation for (3-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium?
The canonical SMILES for (3-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium is COc1cccc(C[NH+](C)CC(=O)N[C@@H](c2ccccc2)c2cccs2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium?
The InChIKey is QPSCTISCPVPFNW-QFIPXVFZSA-O. The full InChI is InChI=1S/C22H24N2O2S/c1-24(15-17-8-6-11-19(14-17)26-2)16-21(25)23-22(20-12-7-13-27-20)18-9-4-3-5-10-18/h3-14,22H,15-16H2,1-2H3,(H,23,25)/p+1/t22-/m0/s1.
What are the key properties of (3-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium?
(3-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium has a molecular weight of 381.52 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium is sourced from PubChem (CID 8789153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).