[(1S)-2-[(3-methoxy-4-propoxybenzoyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium

C19H27N2O3S+ — CID 2544745

IUPAC[(1S)-2-[(3-methoxy-4-propoxybenzoyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium
SMILESCCCOc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1OC
InChIInChI=1S/C19H26N2O3S/c1-5-10-24-16-9-8-14(12-17(16)23-4)19(22)20-13-15(21(2)3)18-7-6-11-25-18/h6-9,11-12,15H,5,10,13H2,1-4H3,(H,20,22)/p+1/t15-/m0/s1
InChIKeyZMVWJGHZIBZFMW-HNNXBMFYSA-O
MW363.50 g/mol
LogP2.16
Rot. Bonds9

About [(1S)-2-[(3-methoxy-4-propoxybenzoyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium

[(1S)-2-[(3-methoxy-4-propoxybenzoyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium (PubChem CID 2544745) has the molecular formula C19H27N2O3S+ and a molecular weight of 363.50 g/mol. Its IUPAC name is [(1S)-2-[(3-methoxy-4-propoxybenzoyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1S)-2-[(3-methoxy-4-propoxybenzoyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium
PubChem CID2544745
Molecular FormulaC19H27N2O3S+
Molecular Weight363.50 g/mol
Exact Mass363.17
IUPAC Name[(1S)-2-[(3-methoxy-4-propoxybenzoyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium
SMILESCCCOc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1OC
InChIInChI=1S/C19H26N2O3S/c1-5-10-24-16-9-8-14(12-17(16)23-4)19(22)20-13-15(21(2)3)18-7-6-11-25-18/h6-9,11-12,15H,5,10,13H2,1-4H3,(H,20,22)/p+1/t15-/m0/s1
InChIKeyZMVWJGHZIBZFMW-HNNXBMFYSA-O
XLogP2.16
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxy-4-propoxybenzamide
CID 4876343
3-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-propoxybenzamide
CID 97098857
[(1S)-2-[(3-bromobenzoyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 8504399
dimethyl-[(1S)-2-[(3-phenoxybenzoyl)amino]-1-thiophen-2-ylethyl]azanium
CID 8504417
4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 78800293
[(1R)-2-[(4-butoxybenzoyl)amino]-1-(3,4-dimethoxyphenyl)ethyl]-dimethylazanium
CID 2564831
N-[4-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-4-oxobutyl]thiophene-2-carboxamide
CID 55364470
4-butoxy-3-methoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 9302117
[(1R)-2-[(3,4-dimethoxybenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
CID 7496032
3,4-dimethoxy-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 92693452
3-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2083346
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
CID 18161816

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-[(3-methoxy-4-propoxybenzoyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium?
The IUPAC name of [(1S)-2-[(3-methoxy-4-propoxybenzoyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium (CID 2544745) is [(1S)-2-[(3-methoxy-4-propoxybenzoyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium.
What is the SMILES notation for [(1S)-2-[(3-methoxy-4-propoxybenzoyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium?
The canonical SMILES for [(1S)-2-[(3-methoxy-4-propoxybenzoyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium is CCCOc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1OC.
What is the InChIKey of [(1S)-2-[(3-methoxy-4-propoxybenzoyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium?
The InChIKey is ZMVWJGHZIBZFMW-HNNXBMFYSA-O. The full InChI is InChI=1S/C19H26N2O3S/c1-5-10-24-16-9-8-14(12-17(16)23-4)19(22)20-13-15(21(2)3)18-7-6-11-25-18/h6-9,11-12,15H,5,10,13H2,1-4H3,(H,20,22)/p+1/t15-/m0/s1.
What are the key properties of [(1S)-2-[(3-methoxy-4-propoxybenzoyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium?
[(1S)-2-[(3-methoxy-4-propoxybenzoyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium has a molecular weight of 363.50 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-[(3-methoxy-4-propoxybenzoyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium is sourced from PubChem (CID 2544745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).