N-[4-(2-amino-2-oxoethyl)-3-methylphenyl]sulfonylnonanamide

C18H28N2O4S — CID 142683766

IUPACN-[4-(2-amino-2-oxoethyl)-3-methylphenyl]sulfonylnonanamide
SMILESCCCCCCCCC(=O)NS(=O)(=O)c1ccc(CC(N)=O)c(C)c1
InChIInChI=1S/C18H28N2O4S/c1-3-4-5-6-7-8-9-18(22)20-25(23,24)16-11-10-15(13-17(19)21)14(2)12-16/h10-12H,3-9,13H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyLWLXBMIKQNCJJB-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.58
Rot. Bonds11

About N-[4-(2-amino-2-oxoethyl)-3-methylphenyl]sulfonylnonanamide

N-[4-(2-amino-2-oxoethyl)-3-methylphenyl]sulfonylnonanamide (PubChem CID 142683766) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-3-methylphenyl]sulfonylnonanamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-3-methylphenyl]sulfonylnonanamide
PubChem CID142683766
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-[4-(2-amino-2-oxoethyl)-3-methylphenyl]sulfonylnonanamide
SMILESCCCCCCCCC(=O)NS(=O)(=O)c1ccc(CC(N)=O)c(C)c1
InChIInChI=1S/C18H28N2O4S/c1-3-4-5-6-7-8-9-18(22)20-25(23,24)16-11-10-15(13-17(19)21)14(2)12-16/h10-12H,3-9,13H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyLWLXBMIKQNCJJB-UHFFFAOYSA-N
XLogP2.58
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-3-methylphenyl]sulfonylnonanamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-3-methylphenyl]sulfonylnonanamide (CID 142683766) is N-[4-(2-amino-2-oxoethyl)-3-methylphenyl]sulfonylnonanamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-3-methylphenyl]sulfonylnonanamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-3-methylphenyl]sulfonylnonanamide is CCCCCCCCC(=O)NS(=O)(=O)c1ccc(CC(N)=O)c(C)c1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-3-methylphenyl]sulfonylnonanamide?
The InChIKey is LWLXBMIKQNCJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-3-4-5-6-7-8-9-18(22)20-25(23,24)16-11-10-15(13-17(19)21)14(2)12-16/h10-12H,3-9,13H2,1-2H3,(H2,19,21)(H,20,22).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-3-methylphenyl]sulfonylnonanamide?
N-[4-(2-amino-2-oxoethyl)-3-methylphenyl]sulfonylnonanamide has a molecular weight of 368.50 g/mol, XLogP of 2.58, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-3-methylphenyl]sulfonylnonanamide is sourced from PubChem (CID 142683766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).