N-[2-[1-(ethylamino)ethyl]phenyl]-3-methylbutane-1-sulfonamide

C15H26N2O2S — CID 63856595

IUPACN-[2-[1-(ethylamino)ethyl]phenyl]-3-methylbutane-1-sulfonamide
SMILESCCNC(C)c1ccccc1NS(=O)(=O)CCC(C)C
InChIInChI=1S/C15H26N2O2S/c1-5-16-13(4)14-8-6-7-9-15(14)17-20(18,19)11-10-12(2)3/h6-9,12-13,16-17H,5,10-11H2,1-4H3
InChIKeyUWOBRDUJPDXGHU-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.14
Rot. Bonds8

About N-[2-[1-(ethylamino)ethyl]phenyl]-3-methylbutane-1-sulfonamide

N-[2-[1-(ethylamino)ethyl]phenyl]-3-methylbutane-1-sulfonamide (PubChem CID 63856595) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[2-[1-(ethylamino)ethyl]phenyl]-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[1-(ethylamino)ethyl]phenyl]-3-methylbutane-1-sulfonamide
PubChem CID63856595
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-[2-[1-(ethylamino)ethyl]phenyl]-3-methylbutane-1-sulfonamide
SMILESCCNC(C)c1ccccc1NS(=O)(=O)CCC(C)C
InChIInChI=1S/C15H26N2O2S/c1-5-16-13(4)14-8-6-7-9-15(14)17-20(18,19)11-10-12(2)3/h6-9,12-13,16-17H,5,10-11H2,1-4H3
InChIKeyUWOBRDUJPDXGHU-UHFFFAOYSA-N
XLogP3.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(ethylamino)ethyl]phenyl]propane-1-sulfonamide
CID 43508200
N-[2-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
CID 43508199
2-ethoxy-N-[2-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide
CID 63245696
N-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide
CID 60858301
1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 61455736
2-(3-methylbutylsulfonylamino)benzenesulfonamide
CID 63821952
4-(ethylamino)-N-(2-propan-2-ylphenyl)butane-1-sulfonamide
CID 106057914
3-methyl-N-[2-(trifluoromethoxy)phenyl]butane-1-sulfonamide
CID 56532305
ethyl N-[[2-[1-(ethylamino)ethyl]phenyl]sulfamoyl]carbamate
CID 114463183
3-methyl-N-[2-(N-methylanilino)phenyl]butane-1-sulfonamide
CID 56573435
N-ethyl-1-(2-ethylphenyl)ethanamine
CID 115781037
N-[2-(3-methylbutyl)phenyl]ethanesulfonamide
CID 59755785

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(ethylamino)ethyl]phenyl]-3-methylbutane-1-sulfonamide?
The IUPAC name of N-[2-[1-(ethylamino)ethyl]phenyl]-3-methylbutane-1-sulfonamide (CID 63856595) is N-[2-[1-(ethylamino)ethyl]phenyl]-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[2-[1-(ethylamino)ethyl]phenyl]-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-[2-[1-(ethylamino)ethyl]phenyl]-3-methylbutane-1-sulfonamide is CCNC(C)c1ccccc1NS(=O)(=O)CCC(C)C.
What is the InChIKey of N-[2-[1-(ethylamino)ethyl]phenyl]-3-methylbutane-1-sulfonamide?
The InChIKey is UWOBRDUJPDXGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-16-13(4)14-8-6-7-9-15(14)17-20(18,19)11-10-12(2)3/h6-9,12-13,16-17H,5,10-11H2,1-4H3.
What are the key properties of N-[2-[1-(ethylamino)ethyl]phenyl]-3-methylbutane-1-sulfonamide?
N-[2-[1-(ethylamino)ethyl]phenyl]-3-methylbutane-1-sulfonamide has a molecular weight of 298.45 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(ethylamino)ethyl]phenyl]-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 63856595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).