2-[2-(didecylamino)ethylsulfonyl]acetamide

C24H50N2O3S — CID 135398389

IUPAC2-[2-(didecylamino)ethylsulfonyl]acetamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)CCS(=O)(=O)CC(N)=O
InChIInChI=1S/C24H50N2O3S/c1-3-5-7-9-11-13-15-17-19-26(21-22-30(28,29)23-24(25)27)20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3,(H2,25,27)
InChIKeySICFVLLJICNIRP-UHFFFAOYSA-N
MW446.74 g/mol
LogP5.47
Rot. Bonds23

About 2-[2-(didecylamino)ethylsulfonyl]acetamide

2-[2-(didecylamino)ethylsulfonyl]acetamide (PubChem CID 135398389) has the molecular formula C24H50N2O3S and a molecular weight of 446.74 g/mol. Its IUPAC name is 2-[2-(didecylamino)ethylsulfonyl]acetamide.

Molecular Properties

Compound Name2-[2-(didecylamino)ethylsulfonyl]acetamide
PubChem CID135398389
Molecular FormulaC24H50N2O3S
Molecular Weight446.74 g/mol
Exact Mass446.35
IUPAC Name2-[2-(didecylamino)ethylsulfonyl]acetamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)CCS(=O)(=O)CC(N)=O
InChIInChI=1S/C24H50N2O3S/c1-3-5-7-9-11-13-15-17-19-26(21-22-30(28,29)23-24(25)27)20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3,(H2,25,27)
InChIKeySICFVLLJICNIRP-UHFFFAOYSA-N
XLogP5.47
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.74
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dihexylhexan-1-amine;sulfuric acid
CID 172853690
bis(N,N-dihexylhexan-1-amine);sulfuric acid
CID 71357248
3-[2-[butyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide
CID 60710620
acetic acid;N,N-didodecyldodecan-1-amine
CID 173289762
3-[dodecyl-[2-[dodecyl(3-sulfopropyl)amino]ethyl]amino]propane-1-sulfonic acid
CID 102039556
carbonic acid;N,N-dipentylpentan-1-amine
CID 157318586
N,N-dioctyloctan-1-amine
CID 14227
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dihexyloctan-1-amine
CID 21418080
N,N-dipentylhexadecan-1-amine
CID 139723811

Frequently Asked Questions

What is the IUPAC name of 2-[2-(didecylamino)ethylsulfonyl]acetamide?
The IUPAC name of 2-[2-(didecylamino)ethylsulfonyl]acetamide (CID 135398389) is 2-[2-(didecylamino)ethylsulfonyl]acetamide.
What is the SMILES notation for 2-[2-(didecylamino)ethylsulfonyl]acetamide?
The canonical SMILES for 2-[2-(didecylamino)ethylsulfonyl]acetamide is CCCCCCCCCCN(CCCCCCCCCC)CCS(=O)(=O)CC(N)=O.
What is the InChIKey of 2-[2-(didecylamino)ethylsulfonyl]acetamide?
The InChIKey is SICFVLLJICNIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2O3S/c1-3-5-7-9-11-13-15-17-19-26(21-22-30(28,29)23-24(25)27)20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3,(H2,25,27).
What are the key properties of 2-[2-(didecylamino)ethylsulfonyl]acetamide?
2-[2-(didecylamino)ethylsulfonyl]acetamide has a molecular weight of 446.74 g/mol, XLogP of 5.47, 23 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(didecylamino)ethylsulfonyl]acetamide is sourced from PubChem (CID 135398389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).