[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium

C16H27N4O4S+ — CID 9289313

IUPAC[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
SMILESCCCNC(=O)C[NH+](C)CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H26N4O4S/c1-5-10-17-15(21)11-20(4)12-16(22)18-13-6-8-14(9-7-13)25(23,24)19(2)3/h6-9H,5,10-12H2,1-4H3,(H,17,21)(H,18,22)/p+1
InChIKeyZKSYEKUXGRRQIX-UHFFFAOYSA-O
MW371.48 g/mol
LogP-1.08
Rot. Bonds9

About [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium

[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium (PubChem CID 9289313) has the molecular formula C16H27N4O4S+ and a molecular weight of 371.48 g/mol. Its IUPAC name is [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium.

Molecular Properties

Compound Name[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
PubChem CID9289313
Molecular FormulaC16H27N4O4S+
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC Name[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
SMILESCCCNC(=O)C[NH+](C)CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H26N4O4S/c1-5-10-17-15(21)11-20(4)12-16(22)18-13-6-8-14(9-7-13)25(23,24)19(2)3/h6-9H,5,10-12H2,1-4H3,(H,17,21)(H,18,22)/p+1
InChIKeyZKSYEKUXGRRQIX-UHFFFAOYSA-O
XLogP-1.08
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729171
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253307
(3,4-dichlorophenyl)methyl-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
CID 2699988
3-acetamido-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 2082690
2-(diethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 17432578
N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide
CID 2465537
N-[4-(dimethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 9494871
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9432127
2-[[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]azaniumyl]ethyl-dimethylazanium
CID 8000284
methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium
CID 8790197
2-(3,4-dimethylphenyl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2672838
N'-methyl-N'-[4-[[2-oxo-2-(propylamino)acetyl]amino]phenyl]sulfonyloxamide
CID 53437757

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium?
The IUPAC name of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium (CID 9289313) is [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium.
What is the SMILES notation for [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium?
The canonical SMILES for [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium is CCCNC(=O)C[NH+](C)CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium?
The InChIKey is ZKSYEKUXGRRQIX-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H26N4O4S/c1-5-10-17-15(21)11-20(4)12-16(22)18-13-6-8-14(9-7-13)25(23,24)19(2)3/h6-9H,5,10-12H2,1-4H3,(H,17,21)(H,18,22)/p+1.
What are the key properties of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium?
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium has a molecular weight of 371.48 g/mol, XLogP of -1.08, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium is sourced from PubChem (CID 9289313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).