1-[2-(dimethylsulfamoylamino)ethyl]-2-methoxy-4-propan-2-ylbenzene

C14H24N2O3S — CID 110789543

IUPAC1-[2-(dimethylsulfamoylamino)ethyl]-2-methoxy-4-propan-2-ylbenzene
SMILESCOc1cc(C(C)C)ccc1CCNS(=O)(=O)N(C)C
InChIInChI=1S/C14H24N2O3S/c1-11(2)13-7-6-12(14(10-13)19-5)8-9-15-20(17,18)16(3)4/h6-7,10-11,15H,8-9H2,1-5H3
InChIKeyUFAZVTRYWGCXIS-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.76
Rot. Bonds7

About 1-[2-(dimethylsulfamoylamino)ethyl]-2-methoxy-4-propan-2-ylbenzene

1-[2-(dimethylsulfamoylamino)ethyl]-2-methoxy-4-propan-2-ylbenzene (PubChem CID 110789543) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoylamino)ethyl]-2-methoxy-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoylamino)ethyl]-2-methoxy-4-propan-2-ylbenzene
PubChem CID110789543
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name1-[2-(dimethylsulfamoylamino)ethyl]-2-methoxy-4-propan-2-ylbenzene
SMILESCOc1cc(C(C)C)ccc1CCNS(=O)(=O)N(C)C
InChIInChI=1S/C14H24N2O3S/c1-11(2)13-7-6-12(14(10-13)19-5)8-9-15-20(17,18)16(3)4/h6-7,10-11,15H,8-9H2,1-5H3
InChIKeyUFAZVTRYWGCXIS-UHFFFAOYSA-N
XLogP1.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl]propane-1-sulfonamide
CID 110789542
2-(2-methoxy-4-propan-2-ylphenyl)ethylcarbamothioic S-acid
CID 115170285
2-[2-(2-methoxy-4-propan-2-ylphenyl)ethylamino]acetonitrile
CID 115131233
2-(dimethylsulfamoylamino)-1-methoxy-4-propan-2-ylbenzene
CID 110776791
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
N-(bromomethyl)-2-(2-methoxy-4-propan-2-ylphenyl)-N-methylethanamine
CID 115262400
1-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl-methylamino]propan-2-one
CID 115235168
5-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-1,2,3-trimethoxybenzene
CID 112506990
5-cyano-2-methoxy-N-[2-(2-phenylmethoxy-4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 18457002
1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine
CID 112513250
N-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylmethanamine
CID 115258703
2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 82492357

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]-2-methoxy-4-propan-2-ylbenzene?
The IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]-2-methoxy-4-propan-2-ylbenzene (CID 110789543) is 1-[2-(dimethylsulfamoylamino)ethyl]-2-methoxy-4-propan-2-ylbenzene.
What is the SMILES notation for 1-[2-(dimethylsulfamoylamino)ethyl]-2-methoxy-4-propan-2-ylbenzene?
The canonical SMILES for 1-[2-(dimethylsulfamoylamino)ethyl]-2-methoxy-4-propan-2-ylbenzene is COc1cc(C(C)C)ccc1CCNS(=O)(=O)N(C)C.
What is the InChIKey of 1-[2-(dimethylsulfamoylamino)ethyl]-2-methoxy-4-propan-2-ylbenzene?
The InChIKey is UFAZVTRYWGCXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-11(2)13-7-6-12(14(10-13)19-5)8-9-15-20(17,18)16(3)4/h6-7,10-11,15H,8-9H2,1-5H3.
What are the key properties of 1-[2-(dimethylsulfamoylamino)ethyl]-2-methoxy-4-propan-2-ylbenzene?
1-[2-(dimethylsulfamoylamino)ethyl]-2-methoxy-4-propan-2-ylbenzene has a molecular weight of 300.42 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylsulfamoylamino)ethyl]-2-methoxy-4-propan-2-ylbenzene is sourced from PubChem (CID 110789543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).