N,N-diethyl-N'-(4-methylphenyl)sulfonyldodecanimidamide

C23H40N2O2S — CID 14580436

IUPACN,N-diethyl-N'-(4-methylphenyl)sulfonyldodecanimidamide
SMILESCCCCCCCCCCC/C(=N\S(=O)(=O)c1ccc(C)cc1)N(CC)CC
InChIInChI=1S/C23H40N2O2S/c1-5-8-9-10-11-12-13-14-15-16-23(25(6-2)7-3)24-28(26,27)22-19-17-21(4)18-20-22/h17-20H,5-16H2,1-4H3/b24-23+
InChIKeyXDAYPCFPLCKKQU-WCWDXBQESA-N
MW408.65 g/mol
LogP6.34
Rot. Bonds14

About N,N-diethyl-N'-(4-methylphenyl)sulfonyldodecanimidamide

N,N-diethyl-N'-(4-methylphenyl)sulfonyldodecanimidamide (PubChem CID 14580436) has the molecular formula C23H40N2O2S and a molecular weight of 408.65 g/mol. Its IUPAC name is N,N-diethyl-N'-(4-methylphenyl)sulfonyldodecanimidamide.

Molecular Properties

Compound NameN,N-diethyl-N'-(4-methylphenyl)sulfonyldodecanimidamide
PubChem CID14580436
Molecular FormulaC23H40N2O2S
Molecular Weight408.65 g/mol
Exact Mass408.28
IUPAC NameN,N-diethyl-N'-(4-methylphenyl)sulfonyldodecanimidamide
SMILESCCCCCCCCCCC/C(=N\S(=O)(=O)c1ccc(C)cc1)N(CC)CC
InChIInChI=1S/C23H40N2O2S/c1-5-8-9-10-11-12-13-14-15-16-23(25(6-2)7-3)24-28(26,27)22-19-17-21(4)18-20-22/h17-20H,5-16H2,1-4H3/b24-23+
InChIKeyXDAYPCFPLCKKQU-WCWDXBQESA-N
XLogP6.34
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.65
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chlorophenyl)sulfonyl-N,N-diethylheptanimidamide
CID 177430117
N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)hexanimidamide
CID 75168284
5-chloro-N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)pentanimidamide
CID 46225390
methyl N-(4-methylphenyl)sulfonylpentanimidate
CID 74988744
N,N-diethyl-N'-(4-methylphenyl)sulfonylpyrrolidine-1-carboximidamide
CID 10881850
4-methylbenzenesulfonic acid;octadecanamide
CID 174323507
N-[(4-methylphenyl)-morpholin-4-yl-oxo-λ6-sulfanylidene]-N'-(4-methylphenyl)sulfonylheptanimidamide
CID 177445516
N-(4-methylphenyl)sulfonyloctanamide
CID 13094109
N-(4-methylphenyl)sulfonylhexanehydrazide
CID 139038475
N-(4-methylphenyl)sulfonylhexanehydrazide
CID 102300698
4-methylbenzenesulfonic acid;undecan-1-ol
CID 71361989
2-oxononyl 4-methylbenzenesulfonate
CID 10519206

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-(4-methylphenyl)sulfonyldodecanimidamide?
The IUPAC name of N,N-diethyl-N'-(4-methylphenyl)sulfonyldodecanimidamide (CID 14580436) is N,N-diethyl-N'-(4-methylphenyl)sulfonyldodecanimidamide.
What is the SMILES notation for N,N-diethyl-N'-(4-methylphenyl)sulfonyldodecanimidamide?
The canonical SMILES for N,N-diethyl-N'-(4-methylphenyl)sulfonyldodecanimidamide is CCCCCCCCCCC/C(=N\S(=O)(=O)c1ccc(C)cc1)N(CC)CC.
What is the InChIKey of N,N-diethyl-N'-(4-methylphenyl)sulfonyldodecanimidamide?
The InChIKey is XDAYPCFPLCKKQU-WCWDXBQESA-N. The full InChI is InChI=1S/C23H40N2O2S/c1-5-8-9-10-11-12-13-14-15-16-23(25(6-2)7-3)24-28(26,27)22-19-17-21(4)18-20-22/h17-20H,5-16H2,1-4H3/b24-23+.
What are the key properties of N,N-diethyl-N'-(4-methylphenyl)sulfonyldodecanimidamide?
N,N-diethyl-N'-(4-methylphenyl)sulfonyldodecanimidamide has a molecular weight of 408.65 g/mol, XLogP of 6.34, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-(4-methylphenyl)sulfonyldodecanimidamide is sourced from PubChem (CID 14580436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).