2-(6-methoxynaphthalen-2-yl)-N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)ethanimidamide

C26H32N2O3S — CID 177420314

IUPAC2-(6-methoxynaphthalen-2-yl)-N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)ethanimidamide
SMILESCOc1ccc2cc(C/C(=N/S(=O)(=O)c3ccc(C)cc3)N(C(C)C)C(C)C)ccc2c1
InChIInChI=1S/C26H32N2O3S/c1-18(2)28(19(3)4)26(27-32(29,30)25-13-7-20(5)8-14-25)16-21-9-10-23-17-24(31-6)12-11-22(23)15-21/h7-15,17-19H,16H2,1-6H3/b27-26-
InChIKeyFPUGZKCNQZEKCD-RQZHXJHFSA-N
MW452.62 g/mol
LogP5.61
Rot. Bonds7

About 2-(6-methoxynaphthalen-2-yl)-N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)ethanimidamide

2-(6-methoxynaphthalen-2-yl)-N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)ethanimidamide (PubChem CID 177420314) has the molecular formula C26H32N2O3S and a molecular weight of 452.62 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-2-yl)-N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)ethanimidamide.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-2-yl)-N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)ethanimidamide
PubChem CID177420314
Molecular FormulaC26H32N2O3S
Molecular Weight452.62 g/mol
Exact Mass452.21
IUPAC Name2-(6-methoxynaphthalen-2-yl)-N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)ethanimidamide
SMILESCOc1ccc2cc(C/C(=N/S(=O)(=O)c3ccc(C)cc3)N(C(C)C)C(C)C)ccc2c1
InChIInChI=1S/C26H32N2O3S/c1-18(2)28(19(3)4)26(27-32(29,30)25-13-7-20(5)8-14-25)16-21-9-10-23-17-24(31-6)12-11-22(23)15-21/h7-15,17-19H,16H2,1-6H3/b27-26-
InChIKeyFPUGZKCNQZEKCD-RQZHXJHFSA-N
XLogP5.61
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.62
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)ethanone
CID 135061178
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
2-(4-methoxyphenyl)sulfonylguanidine
CID 10775754
N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide
CID 110288005
1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)sulfonylethanone
CID 135020171
1-(6-methoxynaphthalen-2-yl)propan-2-one;propane
CID 144625735
1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 102441860
iron;6-methoxynaphthalene-2-sulfonic acid
CID 87610362
N-[(6-methoxynaphthalen-2-yl)methyl]propane-2-sulfonamide
CID 47371751
(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-[(4-methylphenyl)methyl]propanamide
CID 8949471
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073564
1-(2-hydroxy-4-methoxyphenyl)-2-(6-methylnaphthalen-2-yl)ethanone
CID 86168500

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalen-2-yl)-N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)ethanimidamide?
The IUPAC name of 2-(6-methoxynaphthalen-2-yl)-N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)ethanimidamide (CID 177420314) is 2-(6-methoxynaphthalen-2-yl)-N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)ethanimidamide.
What is the SMILES notation for 2-(6-methoxynaphthalen-2-yl)-N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)ethanimidamide?
The canonical SMILES for 2-(6-methoxynaphthalen-2-yl)-N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)ethanimidamide is COc1ccc2cc(C/C(=N/S(=O)(=O)c3ccc(C)cc3)N(C(C)C)C(C)C)ccc2c1.
What is the InChIKey of 2-(6-methoxynaphthalen-2-yl)-N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)ethanimidamide?
The InChIKey is FPUGZKCNQZEKCD-RQZHXJHFSA-N. The full InChI is InChI=1S/C26H32N2O3S/c1-18(2)28(19(3)4)26(27-32(29,30)25-13-7-20(5)8-14-25)16-21-9-10-23-17-24(31-6)12-11-22(23)15-21/h7-15,17-19H,16H2,1-6H3/b27-26-.
What are the key properties of 2-(6-methoxynaphthalen-2-yl)-N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)ethanimidamide?
2-(6-methoxynaphthalen-2-yl)-N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)ethanimidamide has a molecular weight of 452.62 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-2-yl)-N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)ethanimidamide is sourced from PubChem (CID 177420314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).