1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene

C14H25N3O2S — CID 61455736

IUPAC1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
SMILESCCNC(C)c1ccccc1NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C14H25N3O2S/c1-6-15-12(4)13-9-7-8-10-14(13)16-20(18,19)17(5)11(2)3/h7-12,15-16H,6H2,1-5H3
InChIKeyWGBDQXHERIKHRW-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.35
Rot. Bonds7

About 1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene

1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene (PubChem CID 61455736) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene.

Molecular Properties

Compound Name1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
PubChem CID61455736
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
SMILESCCNC(C)c1ccccc1NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C14H25N3O2S/c1-6-15-12(4)13-9-7-8-10-14(13)16-20(18,19)17(5)11(2)3/h7-12,15-16H,6H2,1-5H3
InChIKeyWGBDQXHERIKHRW-UHFFFAOYSA-N
XLogP2.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(methylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 61455735
N-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide
CID 60858301
N-[2-[1-(ethylamino)ethyl]phenyl]propane-1-sulfonamide
CID 43508200
N-[2-[1-(ethylamino)ethyl]phenyl]-3-methylbutane-1-sulfonamide
CID 63856595
N-[2-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
CID 43508199
2-ethoxy-N-[2-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide
CID 63245696
1-(dimethylsulfamoylamino)-2-[1-(methylamino)ethyl]benzene
CID 43508162
3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea
CID 79154848
1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947668
ethyl N-[[2-[1-(ethylamino)ethyl]phenyl]sulfamoyl]carbamate
CID 114463183
2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid
CID 62536120
1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene
CID 113271126

Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The IUPAC name of 1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene (CID 61455736) is 1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene.
What is the SMILES notation for 1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The canonical SMILES for 1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene is CCNC(C)c1ccccc1NS(=O)(=O)N(C)C(C)C.
What is the InChIKey of 1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The InChIKey is WGBDQXHERIKHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-6-15-12(4)13-9-7-8-10-14(13)16-20(18,19)17(5)11(2)3/h7-12,15-16H,6H2,1-5H3.
What are the key properties of 1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene has a molecular weight of 299.44 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene is sourced from PubChem (CID 61455736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).