5-cyano-2-methoxy-N-[2-(2-phenylmethoxy-4-propan-2-ylphenyl)ethyl]benzenesulfonamide

C26H28N2O4S — CID 18457002

IUPAC5-cyano-2-methoxy-N-[2-(2-phenylmethoxy-4-propan-2-ylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(C#N)cc1S(=O)(=O)NCCc1ccc(C(C)C)cc1OCc1ccccc1
InChIInChI=1S/C26H28N2O4S/c1-19(2)23-11-10-22(25(16-23)32-18-20-7-5-4-6-8-20)13-14-28-33(29,30)26-15-21(17-27)9-12-24(26)31-3/h4-12,15-16,19,28H,13-14,18H2,1-3H3
InChIKeyLXWFOCSUSKWFMP-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.79
Rot. Bonds10

About 5-cyano-2-methoxy-N-[2-(2-phenylmethoxy-4-propan-2-ylphenyl)ethyl]benzenesulfonamide

5-cyano-2-methoxy-N-[2-(2-phenylmethoxy-4-propan-2-ylphenyl)ethyl]benzenesulfonamide (PubChem CID 18457002) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is 5-cyano-2-methoxy-N-[2-(2-phenylmethoxy-4-propan-2-ylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-cyano-2-methoxy-N-[2-(2-phenylmethoxy-4-propan-2-ylphenyl)ethyl]benzenesulfonamide
PubChem CID18457002
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC Name5-cyano-2-methoxy-N-[2-(2-phenylmethoxy-4-propan-2-ylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(C#N)cc1S(=O)(=O)NCCc1ccc(C(C)C)cc1OCc1ccccc1
InChIInChI=1S/C26H28N2O4S/c1-19(2)23-11-10-22(25(16-23)32-18-20-7-5-4-6-8-20)13-14-28-33(29,30)26-15-21(17-27)9-12-24(26)31-3/h4-12,15-16,19,28H,13-14,18H2,1-3H3
InChIKeyLXWFOCSUSKWFMP-UHFFFAOYSA-N
XLogP4.79
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-[(5-cyano-2-methoxyphenyl)sulfonylamino]ethyl]-5-propan-2-ylphenoxy]propanoic acid
CID 91159131
2-[2-[2-[(5-cyano-2-hydroxyphenyl)sulfonylamino]ethyl]-5-propan-2-ylphenoxy]propanoic acid
CID 90987747
[4-[2-[(5-cyano-2-methoxyphenyl)sulfonylamino]ethyl]-3-(methoxymethoxy)phenyl] trifluoromethanesulfonate
CID 18456955
5-cyano-2-methoxy-N-[2-[2-(methoxymethoxy)-4-(3,4,5-trifluorophenyl)phenyl]ethyl]benzenesulfonamide
CID 18456964
N-(4-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 110757601
[1-amino-2-[[3-[2-[2-(2-ethoxy-2-oxoethoxy)-4-propan-2-ylphenyl]ethylsulfamoyl]-4-phenylmethoxyphenyl]methylideneamino]-1-hydroxy-2-oxoethyl] 2,2-dimethylpropanoate
CID 68838845
1-[2-(dimethylsulfamoylamino)ethyl]-2-methoxy-4-propan-2-ylbenzene
CID 110789543
N-(2-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 110757600
2-cyano-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 110780652
N-(3-cyanophenyl)-2-methoxy-4-propan-2-ylbenzenesulfonamide
CID 110758453
3-ethyl-4-phenylmethoxybenzonitrile
CID 56984010
methyl 5-[[2-[2-[(5-cyano-2-hydroxyphenyl)sulfonylamino]ethyl]-5-propan-2-ylphenyl]carbamoyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 22219521

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-methoxy-N-[2-(2-phenylmethoxy-4-propan-2-ylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 5-cyano-2-methoxy-N-[2-(2-phenylmethoxy-4-propan-2-ylphenyl)ethyl]benzenesulfonamide (CID 18457002) is 5-cyano-2-methoxy-N-[2-(2-phenylmethoxy-4-propan-2-ylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-cyano-2-methoxy-N-[2-(2-phenylmethoxy-4-propan-2-ylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-cyano-2-methoxy-N-[2-(2-phenylmethoxy-4-propan-2-ylphenyl)ethyl]benzenesulfonamide is COc1ccc(C#N)cc1S(=O)(=O)NCCc1ccc(C(C)C)cc1OCc1ccccc1.
What is the InChIKey of 5-cyano-2-methoxy-N-[2-(2-phenylmethoxy-4-propan-2-ylphenyl)ethyl]benzenesulfonamide?
The InChIKey is LXWFOCSUSKWFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4S/c1-19(2)23-11-10-22(25(16-23)32-18-20-7-5-4-6-8-20)13-14-28-33(29,30)26-15-21(17-27)9-12-24(26)31-3/h4-12,15-16,19,28H,13-14,18H2,1-3H3.
What are the key properties of 5-cyano-2-methoxy-N-[2-(2-phenylmethoxy-4-propan-2-ylphenyl)ethyl]benzenesulfonamide?
5-cyano-2-methoxy-N-[2-(2-phenylmethoxy-4-propan-2-ylphenyl)ethyl]benzenesulfonamide has a molecular weight of 464.59 g/mol, XLogP of 4.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-methoxy-N-[2-(2-phenylmethoxy-4-propan-2-ylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 18457002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).