1-[2-(diethylsulfamoylamino)ethoxy]-4-propan-2-ylbenzene

C15H26N2O3S — CID 87032676

IUPAC1-[2-(diethylsulfamoylamino)ethoxy]-4-propan-2-ylbenzene
SMILESCCN(CC)S(=O)(=O)NCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C15H26N2O3S/c1-5-17(6-2)21(18,19)16-11-12-20-15-9-7-14(8-10-15)13(3)4/h7-10,13,16H,5-6,11-12H2,1-4H3
InChIKeyAPGYGEIXPLHYNI-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.37
Rot. Bonds9

About 1-[2-(diethylsulfamoylamino)ethoxy]-4-propan-2-ylbenzene

1-[2-(diethylsulfamoylamino)ethoxy]-4-propan-2-ylbenzene (PubChem CID 87032676) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-[2-(diethylsulfamoylamino)ethoxy]-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[2-(diethylsulfamoylamino)ethoxy]-4-propan-2-ylbenzene
PubChem CID87032676
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name1-[2-(diethylsulfamoylamino)ethoxy]-4-propan-2-ylbenzene
SMILESCCN(CC)S(=O)(=O)NCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C15H26N2O3S/c1-5-17(6-2)21(18,19)16-11-12-20-15-9-7-14(8-10-15)13(3)4/h7-10,13,16H,5-6,11-12H2,1-4H3
InChIKeyAPGYGEIXPLHYNI-UHFFFAOYSA-N
XLogP2.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-4-[2-(dipropylsulfamoylamino)ethoxy]benzene
CID 63238378
1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene
CID 64764761
N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 3858812
1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene
CID 113100115
1-(2-methylsulfonylethoxy)-4-propan-2-ylbenzene
CID 64763839
2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide
CID 113100320
N-[2-(4-propan-2-ylphenoxy)ethyl]-2-propylsulfonylacetamide
CID 60571529
2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide
CID 113100388
1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene
CID 35617109
2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 94687173
N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide
CID 47108527
4-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pentan-1-amine
CID 63506385

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylsulfamoylamino)ethoxy]-4-propan-2-ylbenzene?
The IUPAC name of 1-[2-(diethylsulfamoylamino)ethoxy]-4-propan-2-ylbenzene (CID 87032676) is 1-[2-(diethylsulfamoylamino)ethoxy]-4-propan-2-ylbenzene.
What is the SMILES notation for 1-[2-(diethylsulfamoylamino)ethoxy]-4-propan-2-ylbenzene?
The canonical SMILES for 1-[2-(diethylsulfamoylamino)ethoxy]-4-propan-2-ylbenzene is CCN(CC)S(=O)(=O)NCCOc1ccc(C(C)C)cc1.
What is the InChIKey of 1-[2-(diethylsulfamoylamino)ethoxy]-4-propan-2-ylbenzene?
The InChIKey is APGYGEIXPLHYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-5-17(6-2)21(18,19)16-11-12-20-15-9-7-14(8-10-15)13(3)4/h7-10,13,16H,5-6,11-12H2,1-4H3.
What are the key properties of 1-[2-(diethylsulfamoylamino)ethoxy]-4-propan-2-ylbenzene?
1-[2-(diethylsulfamoylamino)ethoxy]-4-propan-2-ylbenzene has a molecular weight of 314.45 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylsulfamoylamino)ethoxy]-4-propan-2-ylbenzene is sourced from PubChem (CID 87032676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).