dimethyl-[(2S)-2-phenyl-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]azanium

C22H24N3O2S+ — CID 8938021

IUPACdimethyl-[(2S)-2-phenyl-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]azanium
SMILESC[NH+](C)C[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccccc1
InChIInChI=1S/C22H23N3O2S/c1-25(2)15-19(16-8-4-3-5-9-16)24-21(26)17-10-6-11-18(14-17)23-22(27)20-12-7-13-28-20/h3-14,19H,15H2,1-2H3,(H,23,27)(H,24,26)/p+1/t19-/m1/s1
InChIKeyZFLIHDLLAUXSSJ-LJQANCHMSA-O
MW394.52 g/mol
LogP2.62
Rot. Bonds7

About dimethyl-[(2S)-2-phenyl-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]azanium

dimethyl-[(2S)-2-phenyl-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]azanium (PubChem CID 8938021) has the molecular formula C22H24N3O2S+ and a molecular weight of 394.52 g/mol. Its IUPAC name is dimethyl-[(2S)-2-phenyl-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[(2S)-2-phenyl-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]azanium
PubChem CID8938021
Molecular FormulaC22H24N3O2S+
Molecular Weight394.52 g/mol
Exact Mass394.16
IUPAC Namedimethyl-[(2S)-2-phenyl-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]azanium
SMILESC[NH+](C)C[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccccc1
InChIInChI=1S/C22H23N3O2S/c1-25(2)15-19(16-8-4-3-5-9-16)24-21(26)17-10-6-11-18(14-17)23-22(27)20-12-7-13-28-20/h3-14,19H,15H2,1-2H3,(H,23,27)(H,24,26)/p+1/t19-/m1/s1
InChIKeyZFLIHDLLAUXSSJ-LJQANCHMSA-O
XLogP2.62
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze dimethyl-[(2S)-2-phenyl-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]azanium with MolForge

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Related Compounds

N-[3-(1-methoxypropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 18161069
(2S)-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]hexanoic acid
CID 120614324
N-[3-[bis(4-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 35091110
[(2S)-2-[(3-cyanobenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8937133
N-(3-carbamothioylphenyl)thiophene-2-carboxamide
CID 24696686
N-[3-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 33027717
N-[2-(3-carbamoylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24653858
[(2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8936150
N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119524473
(3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 969744
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55637692
N-[3-(2-phenoxyethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27758223

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2S)-2-phenyl-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]azanium?
The IUPAC name of dimethyl-[(2S)-2-phenyl-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]azanium (CID 8938021) is dimethyl-[(2S)-2-phenyl-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]azanium.
What is the SMILES notation for dimethyl-[(2S)-2-phenyl-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]azanium?
The canonical SMILES for dimethyl-[(2S)-2-phenyl-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]azanium is C[NH+](C)C[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccccc1.
What is the InChIKey of dimethyl-[(2S)-2-phenyl-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]azanium?
The InChIKey is ZFLIHDLLAUXSSJ-LJQANCHMSA-O. The full InChI is InChI=1S/C22H23N3O2S/c1-25(2)15-19(16-8-4-3-5-9-16)24-21(26)17-10-6-11-18(14-17)23-22(27)20-12-7-13-28-20/h3-14,19H,15H2,1-2H3,(H,23,27)(H,24,26)/p+1/t19-/m1/s1.
What are the key properties of dimethyl-[(2S)-2-phenyl-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]azanium?
dimethyl-[(2S)-2-phenyl-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]azanium has a molecular weight of 394.52 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2S)-2-phenyl-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]azanium is sourced from PubChem (CID 8938021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).