5-[2-[[1-(2-methoxyphenoxy)-2-methylpropan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide

C20H28N2O4S — CID 13106309

IUPAC5-[2-[[1-(2-methoxyphenoxy)-2-methylpropan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide
SMILESCOc1ccccc1OCC(C)(C)NCCc1ccc(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C20H28N2O4S/c1-15-9-10-16(13-19(15)27(21,23)24)11-12-22-20(2,3)14-26-18-8-6-5-7-17(18)25-4/h5-10,13,22H,11-12,14H2,1-4H3,(H2,21,23,24)
InChIKeySNHKZXWRPGICHE-UHFFFAOYSA-N
MW392.52 g/mol
LogP2.64
Rot. Bonds9

About 5-[2-[[1-(2-methoxyphenoxy)-2-methylpropan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide

5-[2-[[1-(2-methoxyphenoxy)-2-methylpropan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide (PubChem CID 13106309) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is 5-[2-[[1-(2-methoxyphenoxy)-2-methylpropan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[2-[[1-(2-methoxyphenoxy)-2-methylpropan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide
PubChem CID13106309
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC Name5-[2-[[1-(2-methoxyphenoxy)-2-methylpropan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide
SMILESCOc1ccccc1OCC(C)(C)NCCc1ccc(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C20H28N2O4S/c1-15-9-10-16(13-19(15)27(21,23)24)11-12-22-20(2,3)14-26-18-8-6-5-7-17(18)25-4/h5-10,13,22H,11-12,14H2,1-4H3,(H2,21,23,24)
InChIKeySNHKZXWRPGICHE-UHFFFAOYSA-N
XLogP2.64
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[2-(2-ethoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide
CID 13106291
2-methyl-5-[2-[1-(2-methylphenoxy)propan-2-ylamino]ethyl]benzenesulfonamide
CID 13106303
N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide
CID 71757647
5-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 23347166
5-[3-(benzenesulfonyl)propyl]-2-methylbenzenesulfonamide
CID 90685872
5-[3-amino-1-hydroxy-4-(2-methoxyphenoxy)butyl]-2-methylbenzenesulfonamide;hydrochloride
CID 70494607
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol
CID 115133534
2-N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115132118
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 91758594
4-[1-hydroxy-2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide
CID 23615563
2-[2-(3,4-dimethoxyphenyl)ethylamino]propane-2-thiol
CID 145473634

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[1-(2-methoxyphenoxy)-2-methylpropan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-[2-[[1-(2-methoxyphenoxy)-2-methylpropan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide (CID 13106309) is 5-[2-[[1-(2-methoxyphenoxy)-2-methylpropan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[2-[[1-(2-methoxyphenoxy)-2-methylpropan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[2-[[1-(2-methoxyphenoxy)-2-methylpropan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide is COc1ccccc1OCC(C)(C)NCCc1ccc(C)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-[2-[[1-(2-methoxyphenoxy)-2-methylpropan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide?
The InChIKey is SNHKZXWRPGICHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-15-9-10-16(13-19(15)27(21,23)24)11-12-22-20(2,3)14-26-18-8-6-5-7-17(18)25-4/h5-10,13,22H,11-12,14H2,1-4H3,(H2,21,23,24).
What are the key properties of 5-[2-[[1-(2-methoxyphenoxy)-2-methylpropan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide?
5-[2-[[1-(2-methoxyphenoxy)-2-methylpropan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide has a molecular weight of 392.52 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[1-(2-methoxyphenoxy)-2-methylpropan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 13106309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).