N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide

C19H32N2O3S — CID 55893382

IUPACN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide
SMILESCCCCCCCCC(=O)NC(C)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H32N2O3S/c1-5-6-7-8-9-10-11-19(22)20-16(2)17-12-14-18(15-13-17)25(23,24)21(3)4/h12-16H,5-11H2,1-4H3,(H,20,22)
InChIKeyVJIHPXFEUFHWOP-UHFFFAOYSA-N
MW368.54 g/mol
LogP3.86
Rot. Bonds11

About N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide

N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide (PubChem CID 55893382) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide
PubChem CID55893382
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC NameN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide
SMILESCCCCCCCCC(=O)NC(C)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H32N2O3S/c1-5-6-7-8-9-10-11-19(22)20-16(2)17-12-14-18(15-13-17)25(23,24)21(3)4/h12-16H,5-11H2,1-4H3,(H,20,22)
InChIKeyVJIHPXFEUFHWOP-UHFFFAOYSA-N
XLogP3.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide
CID 119741155
4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide
CID 119299114
4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 60960679
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
N-[1-(4-cyanophenyl)ethyl]octanamide
CID 134035112
3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119741190
N-[1-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46806846
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 55893493
4-(4-acetyl-2-methoxyphenoxy)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide
CID 55892746
4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide
CID 120589757
4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide
CID 132654297
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-methylphenoxy)acetamide
CID 55894640

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide?
The IUPAC name of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide (CID 55893382) is N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide.
What is the SMILES notation for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide?
The canonical SMILES for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide is CCCCCCCCC(=O)NC(C)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide?
The InChIKey is VJIHPXFEUFHWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-5-6-7-8-9-10-11-19(22)20-16(2)17-12-14-18(15-13-17)25(23,24)21(3)4/h12-16H,5-11H2,1-4H3,(H,20,22).
What are the key properties of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide?
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide has a molecular weight of 368.54 g/mol, XLogP of 3.86, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide is sourced from PubChem (CID 55893382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).