[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C17H29N4O4S+ — CID 8907084

IUPAC[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)CC(=O)NC(C)C
InChIInChI=1S/C17H28N4O4S/c1-6-21(11-16(22)18-13(2)3)12-17(23)19-14-8-7-9-15(10-14)26(24,25)20(4)5/h7-10,13H,6,11-12H2,1-5H3,(H,18,22)(H,19,23)/p+1
InChIKeyOZPGCDFYESZAJT-UHFFFAOYSA-O
MW385.51 g/mol
LogP-0.70
Rot. Bonds9

About [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 8907084) has the molecular formula C17H29N4O4S+ and a molecular weight of 385.51 g/mol. Its IUPAC name is [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Name[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID8907084
Molecular FormulaC17H29N4O4S+
Molecular Weight385.51 g/mol
Exact Mass385.19
IUPAC Name[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)CC(=O)NC(C)C
InChIInChI=1S/C17H28N4O4S/c1-6-21(11-16(22)18-13(2)3)12-17(23)19-14-8-7-9-15(10-14)26(24,25)20(4)5/h7-10,13H,6,11-12H2,1-5H3,(H,18,22)(H,19,23)/p+1
InChIKeyOZPGCDFYESZAJT-UHFFFAOYSA-O
XLogP-0.70
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049077
ethyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8907098
2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 60646929
[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
1-[(2R)-butan-2-yl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8619665
2-(azepan-1-ium-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8895996
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9335719
4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 43707686
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8906545
2-[1-(2-chlorophenyl)ethylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 51171745
(3-chlorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
CID 9251237

Frequently Asked Questions

What is the IUPAC name of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 8907084) is [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is CC[NH+](CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)CC(=O)NC(C)C.
What is the InChIKey of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is OZPGCDFYESZAJT-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H28N4O4S/c1-6-21(11-16(22)18-13(2)3)12-17(23)19-14-8-7-9-15(10-14)26(24,25)20(4)5/h7-10,13H,6,11-12H2,1-5H3,(H,18,22)(H,19,23)/p+1.
What are the key properties of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 385.51 g/mol, XLogP of -0.70, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 8907084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).