[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium

C23H34N3O3S+ — CID 8992542

IUPAC[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium
SMILESCCc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C(C)C)cc1
InChIInChI=1S/C23H33N3O3S/c1-7-18-11-13-19(14-12-18)22(16(2)3)24-17(4)23(27)25-20-9-8-10-21(15-20)30(28,29)26(5)6/h8-17,22,24H,7H2,1-6H3,(H,25,27)/p+1/t17-,22-/m0/s1
InChIKeyFNCJSVSUOMNLPY-JTSKRJEESA-O
MW432.61 g/mol
LogP2.79
Rot. Bonds9

About [(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium

[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium (PubChem CID 8992542) has the molecular formula C23H34N3O3S+ and a molecular weight of 432.61 g/mol. Its IUPAC name is [(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium.

Molecular Properties

Compound Name[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium
PubChem CID8992542
Molecular FormulaC23H34N3O3S+
Molecular Weight432.61 g/mol
Exact Mass432.23
IUPAC Name[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium
SMILESCCc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C(C)C)cc1
InChIInChI=1S/C23H33N3O3S/c1-7-18-11-13-19(14-12-18)22(16(2)3)24-17(4)23(27)25-20-9-8-10-21(15-20)30(28,29)26(5)6/h8-17,22,24H,7H2,1-6H3,(H,25,27)/p+1/t17-,22-/m0/s1
InChIKeyFNCJSVSUOMNLPY-JTSKRJEESA-O
XLogP2.79
TPSA83.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium with MolForge

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Related Compounds

[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8515787
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8515783
N-[3-(dimethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672946
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1S)-1-(4-methoxyphenyl)propyl]amino]propanamide
CID 8646220
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517487
1-adamantyl-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]azanium
CID 9358447
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] butanoate
CID 7796832
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8527192
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (2S)-2-phenylbutanoate
CID 8758830
[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-ethoxyacetate
CID 8709554
N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1R)-1-(4-methylphenyl)propyl]amino]acetamide
CID 9264035
2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 60646929

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium?
The IUPAC name of [(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium (CID 8992542) is [(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium.
What is the SMILES notation for [(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium?
The canonical SMILES for [(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium is CCc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C(C)C)cc1.
What is the InChIKey of [(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium?
The InChIKey is FNCJSVSUOMNLPY-JTSKRJEESA-O. The full InChI is InChI=1S/C23H33N3O3S/c1-7-18-11-13-19(14-12-18)22(16(2)3)24-17(4)23(27)25-20-9-8-10-21(15-20)30(28,29)26(5)6/h8-17,22,24H,7H2,1-6H3,(H,25,27)/p+1/t17-,22-/m0/s1.
What are the key properties of [(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium?
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium has a molecular weight of 432.61 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium is sourced from PubChem (CID 8992542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).