[(1R)-1-(furan-2-yl)-2-[[(2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]ethyl]-dimethylazanium

C22H26N3O3S+ — CID 2536425

IUPAC[(1R)-1-(furan-2-yl)-2-[[(2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]ethyl]-dimethylazanium
SMILESC[NH+](C)[C@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccco1
InChIInChI=1S/C22H25N3O3S/c1-25(2)18(19-10-6-12-28-19)15-23-21(26)17(14-16-8-4-3-5-9-16)24-22(27)20-11-7-13-29-20/h3-13,17-18H,14-15H2,1-2H3,(H,23,26)(H,24,27)/p+1/t17-,18+/m0/s1
InChIKeyIWNJTXQTRJDTOB-ZWKOTPCHSA-O
MW412.54 g/mol
LogP1.68
Rot. Bonds9

About [(1R)-1-(furan-2-yl)-2-[[(2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]ethyl]-dimethylazanium

[(1R)-1-(furan-2-yl)-2-[[(2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]ethyl]-dimethylazanium (PubChem CID 2536425) has the molecular formula C22H26N3O3S+ and a molecular weight of 412.54 g/mol. Its IUPAC name is [(1R)-1-(furan-2-yl)-2-[[(2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-1-(furan-2-yl)-2-[[(2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]ethyl]-dimethylazanium
PubChem CID2536425
Molecular FormulaC22H26N3O3S+
Molecular Weight412.54 g/mol
Exact Mass412.17
IUPAC Name[(1R)-1-(furan-2-yl)-2-[[(2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]ethyl]-dimethylazanium
SMILESC[NH+](C)[C@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccco1
InChIInChI=1S/C22H25N3O3S/c1-25(2)18(19-10-6-12-28-19)15-23-21(26)17(14-16-8-4-3-5-9-16)24-22(27)20-11-7-13-29-20/h3-13,17-18H,14-15H2,1-2H3,(H,23,26)(H,24,27)/p+1/t17-,18+/m0/s1
InChIKeyIWNJTXQTRJDTOB-ZWKOTPCHSA-O
XLogP1.68
TPSA75.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(1R)-1-(furan-2-yl)-2-[[(2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]ethyl]-dimethylazanium with MolForge

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Related Compounds

[(1R)-1-(furan-2-yl)-2-[[(2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]ethyl]-dimethylazanium
CID 2536417
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119629092
N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 119507944
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 2576955
N-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 32933462
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 119629009
N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 110878206
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55358067
(2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid
CID 119364594
N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24504234
N-[1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55342022

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(furan-2-yl)-2-[[(2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]ethyl]-dimethylazanium?
The IUPAC name of [(1R)-1-(furan-2-yl)-2-[[(2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]ethyl]-dimethylazanium (CID 2536425) is [(1R)-1-(furan-2-yl)-2-[[(2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]ethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-1-(furan-2-yl)-2-[[(2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]ethyl]-dimethylazanium?
The canonical SMILES for [(1R)-1-(furan-2-yl)-2-[[(2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]ethyl]-dimethylazanium is C[NH+](C)[C@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccco1.
What is the InChIKey of [(1R)-1-(furan-2-yl)-2-[[(2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]ethyl]-dimethylazanium?
The InChIKey is IWNJTXQTRJDTOB-ZWKOTPCHSA-O. The full InChI is InChI=1S/C22H25N3O3S/c1-25(2)18(19-10-6-12-28-19)15-23-21(26)17(14-16-8-4-3-5-9-16)24-22(27)20-11-7-13-29-20/h3-13,17-18H,14-15H2,1-2H3,(H,23,26)(H,24,27)/p+1/t17-,18+/m0/s1.
What are the key properties of [(1R)-1-(furan-2-yl)-2-[[(2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]ethyl]-dimethylazanium?
[(1R)-1-(furan-2-yl)-2-[[(2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]ethyl]-dimethylazanium has a molecular weight of 412.54 g/mol, XLogP of 1.68, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(furan-2-yl)-2-[[(2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]ethyl]-dimethylazanium is sourced from PubChem (CID 2536425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).