[2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium

C19H28N3O3S2+ — CID 8925854

IUPAC[2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)C[NH+](C)Cc2ccsc2)cc1
InChIInChI=1S/C19H27N3O3S2/c1-4-5-11-22(3)27(24,25)18-8-6-17(7-9-18)20-19(23)14-21(2)13-16-10-12-26-15-16/h6-10,12,15H,4-5,11,13-14H2,1-3H3,(H,20,23)/p+1
InChIKeyIWFXPEODUFRMFP-UHFFFAOYSA-O
MW410.59 g/mol
LogP1.82
Rot. Bonds10

About [2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium

[2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium (PubChem CID 8925854) has the molecular formula C19H28N3O3S2+ and a molecular weight of 410.59 g/mol. Its IUPAC name is [2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium.

Molecular Properties

Compound Name[2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
PubChem CID8925854
Molecular FormulaC19H28N3O3S2+
Molecular Weight410.59 g/mol
Exact Mass410.16
IUPAC Name[2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)C[NH+](C)Cc2ccsc2)cc1
InChIInChI=1S/C19H27N3O3S2/c1-4-5-11-22(3)27(24,25)18-8-6-17(7-9-18)20-19(23)14-21(2)13-16-10-12-26-15-16/h6-10,12,15H,4-5,11,13-14H2,1-3H3,(H,20,23)/p+1
InChIKeyIWFXPEODUFRMFP-UHFFFAOYSA-O
XLogP1.82
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.59
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(4-fluorophenyl)acetamide
CID 24616569
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide
CID 7733392
(3,4-dichlorophenyl)methyl-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
CID 2699988
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9289313
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8750734
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide
CID 9218220
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
CID 7948733
[2-(2-fluoroanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 9054520
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide
CID 8623651
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 43004758
2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,6-difluorophenyl)acetamide
CID 24616559
N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528516

Frequently Asked Questions

What is the IUPAC name of [2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium?
The IUPAC name of [2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium (CID 8925854) is [2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium.
What is the SMILES notation for [2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium?
The canonical SMILES for [2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium is CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C[NH+](C)Cc2ccsc2)cc1.
What is the InChIKey of [2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium?
The InChIKey is IWFXPEODUFRMFP-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H27N3O3S2/c1-4-5-11-22(3)27(24,25)18-8-6-17(7-9-18)20-19(23)14-21(2)13-16-10-12-26-15-16/h6-10,12,15H,4-5,11,13-14H2,1-3H3,(H,20,23)/p+1.
What are the key properties of [2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium?
[2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium has a molecular weight of 410.59 g/mol, XLogP of 1.82, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium is sourced from PubChem (CID 8925854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).