[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium

C18H24N3O3S+ — CID 8897553

IUPAC[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1
InChIInChI=1S/C18H23N3O3S/c1-14(15-7-5-4-6-8-15)19-13-18(22)20-16-9-11-17(12-10-16)25(23,24)21(2)3/h4-12,14,19H,13H2,1-3H3,(H,20,22)/p+1/t14-/m0/s1
InChIKeyRPAQZNTXLIGZDP-AWEZNQCLSA-O
MW362.48 g/mol
LogP1.20
Rot. Bonds7

About [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium

[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium (PubChem CID 8897553) has the molecular formula C18H24N3O3S+ and a molecular weight of 362.48 g/mol. Its IUPAC name is [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
PubChem CID8897553
Molecular FormulaC18H24N3O3S+
Molecular Weight362.48 g/mol
Exact Mass362.15
IUPAC Name[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1
InChIInChI=1S/C18H23N3O3S/c1-14(15-7-5-4-6-8-15)19-13-18(22)20-16-9-11-17(12-10-16)25(23,24)21(2)3/h4-12,14,19H,13H2,1-3H3,(H,20,22)/p+1/t14-/m0/s1
InChIKeyRPAQZNTXLIGZDP-AWEZNQCLSA-O
XLogP1.20
TPSA83.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919420
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl]azanium
CID 8637227
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8897914
[2-(4-chloroanilino)-2-oxoethyl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
CID 9394045
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
CID 9394040
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 2082856
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium
CID 8898094
[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 9031907
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide
CID 6465200
(2S,3S)-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-2-phenylpentanamide
CID 25484071
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate
CID 7811085
[2-(3,5-dichloroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2106406

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium?
The IUPAC name of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium (CID 8897553) is [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium.
What is the SMILES notation for [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium?
The canonical SMILES for [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium is C[C@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1.
What is the InChIKey of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium?
The InChIKey is RPAQZNTXLIGZDP-AWEZNQCLSA-O. The full InChI is InChI=1S/C18H23N3O3S/c1-14(15-7-5-4-6-8-15)19-13-18(22)20-16-9-11-17(12-10-16)25(23,24)21(2)3/h4-12,14,19H,13H2,1-3H3,(H,20,22)/p+1/t14-/m0/s1.
What are the key properties of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium?
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium has a molecular weight of 362.48 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium is sourced from PubChem (CID 8897553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).