[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium

C18H31N4O4S+ — CID 8711948

IUPAC[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C[NH+](C)CC(=O)N(C)C)ccc1C
InChIInChI=1S/C18H30N4O4S/c1-7-22(8-2)27(25,26)16-11-15(10-9-14(16)3)19-17(23)12-21(6)13-18(24)20(4)5/h9-11H,7-8,12-13H2,1-6H3,(H,19,23)/p+1
InChIKeyPDPLBOCMKQVXEL-UHFFFAOYSA-O
MW399.54 g/mol
LogP-0.43
Rot. Bonds9

About [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium

[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium (PubChem CID 8711948) has the molecular formula C18H31N4O4S+ and a molecular weight of 399.54 g/mol. Its IUPAC name is [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
PubChem CID8711948
Molecular FormulaC18H31N4O4S+
Molecular Weight399.54 g/mol
Exact Mass399.21
IUPAC Name[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C[NH+](C)CC(=O)N(C)C)ccc1C
InChIInChI=1S/C18H30N4O4S/c1-7-22(8-2)27(25,26)16-11-15(10-9-14(16)3)19-17(23)12-21(6)13-18(24)20(4)5/h9-11H,7-8,12-13H2,1-6H3,(H,19,23)/p+1
InChIKeyPDPLBOCMKQVXEL-UHFFFAOYSA-O
XLogP-0.43
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644
2-(4-chlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 7689008
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
CID 8878164
1-tert-butyl-3-[3-(diethylsulfamoyl)-4-methylphenyl]urea
CID 8002731
7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride
CID 119674944
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56511573
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 30837665
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dimethylpyridin-1-ium-1-yl)acetamide
CID 8828438
2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 9084580
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
CID 7929076
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
methyl 3-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]sulfanylpropanoate
CID 8785479

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium (CID 8711948) is [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium is CCN(CC)S(=O)(=O)c1cc(NC(=O)C[NH+](C)CC(=O)N(C)C)ccc1C.
What is the InChIKey of [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium?
The InChIKey is PDPLBOCMKQVXEL-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H30N4O4S/c1-7-22(8-2)27(25,26)16-11-15(10-9-14(16)3)19-17(23)12-21(6)13-18(24)20(4)5/h9-11H,7-8,12-13H2,1-6H3,(H,19,23)/p+1.
What are the key properties of [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium?
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium has a molecular weight of 399.54 g/mol, XLogP of -0.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8711948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).