dimethyl-[(1S)-2-[(3-phenoxybenzoyl)amino]-1-thiophen-2-ylethyl]azanium

C21H23N2O2S+ — CID 8504417

IUPACdimethyl-[(1S)-2-[(3-phenoxybenzoyl)amino]-1-thiophen-2-ylethyl]azanium
SMILESC[NH+](C)[C@@H](CNC(=O)c1cccc(Oc2ccccc2)c1)c1cccs1
InChIInChI=1S/C21H22N2O2S/c1-23(2)19(20-12-7-13-26-20)15-22-21(24)16-8-6-11-18(14-16)25-17-9-4-3-5-10-17/h3-14,19H,15H2,1-2H3,(H,22,24)/p+1/t19-/m0/s1
InChIKeyFFZCWDJEWBSHCC-IBGZPJMESA-O
MW367.49 g/mol
LogP3.16
Rot. Bonds7

About dimethyl-[(1S)-2-[(3-phenoxybenzoyl)amino]-1-thiophen-2-ylethyl]azanium

dimethyl-[(1S)-2-[(3-phenoxybenzoyl)amino]-1-thiophen-2-ylethyl]azanium (PubChem CID 8504417) has the molecular formula C21H23N2O2S+ and a molecular weight of 367.49 g/mol. Its IUPAC name is dimethyl-[(1S)-2-[(3-phenoxybenzoyl)amino]-1-thiophen-2-ylethyl]azanium.

Molecular Properties

Compound Namedimethyl-[(1S)-2-[(3-phenoxybenzoyl)amino]-1-thiophen-2-ylethyl]azanium
PubChem CID8504417
Molecular FormulaC21H23N2O2S+
Molecular Weight367.49 g/mol
Exact Mass367.15
IUPAC Namedimethyl-[(1S)-2-[(3-phenoxybenzoyl)amino]-1-thiophen-2-ylethyl]azanium
SMILESC[NH+](C)[C@@H](CNC(=O)c1cccc(Oc2ccccc2)c1)c1cccs1
InChIInChI=1S/C21H22N2O2S/c1-23(2)19(20-12-7-13-26-20)15-22-21(24)16-8-6-11-18(14-16)25-17-9-4-3-5-10-17/h3-14,19H,15H2,1-2H3,(H,22,24)/p+1/t19-/m0/s1
InChIKeyFFZCWDJEWBSHCC-IBGZPJMESA-O
XLogP3.16
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-2-[(3-bromobenzoyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 8504399
[(1S)-1-(2-methoxyphenyl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8781553
[(1S)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8501946
[(1R)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8501948
[(1S)-2-[(3-methoxy-4-propoxybenzoyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 2544745
dimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium
CID 2539131
N-(2-oxoethyl)-3-phenoxybenzamide
CID 100943832
3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984511
3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 134048537
[(1R)-2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 8005767
N-pentan-3-yl-3-phenoxybenzamide
CID 2442055
N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
CID 82121701

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(1S)-2-[(3-phenoxybenzoyl)amino]-1-thiophen-2-ylethyl]azanium?
The IUPAC name of dimethyl-[(1S)-2-[(3-phenoxybenzoyl)amino]-1-thiophen-2-ylethyl]azanium (CID 8504417) is dimethyl-[(1S)-2-[(3-phenoxybenzoyl)amino]-1-thiophen-2-ylethyl]azanium.
What is the SMILES notation for dimethyl-[(1S)-2-[(3-phenoxybenzoyl)amino]-1-thiophen-2-ylethyl]azanium?
The canonical SMILES for dimethyl-[(1S)-2-[(3-phenoxybenzoyl)amino]-1-thiophen-2-ylethyl]azanium is C[NH+](C)[C@@H](CNC(=O)c1cccc(Oc2ccccc2)c1)c1cccs1.
What is the InChIKey of dimethyl-[(1S)-2-[(3-phenoxybenzoyl)amino]-1-thiophen-2-ylethyl]azanium?
The InChIKey is FFZCWDJEWBSHCC-IBGZPJMESA-O. The full InChI is InChI=1S/C21H22N2O2S/c1-23(2)19(20-12-7-13-26-20)15-22-21(24)16-8-6-11-18(14-16)25-17-9-4-3-5-10-17/h3-14,19H,15H2,1-2H3,(H,22,24)/p+1/t19-/m0/s1.
What are the key properties of dimethyl-[(1S)-2-[(3-phenoxybenzoyl)amino]-1-thiophen-2-ylethyl]azanium?
dimethyl-[(1S)-2-[(3-phenoxybenzoyl)amino]-1-thiophen-2-ylethyl]azanium has a molecular weight of 367.49 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(1S)-2-[(3-phenoxybenzoyl)amino]-1-thiophen-2-ylethyl]azanium is sourced from PubChem (CID 8504417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).