N-[(2S)-1,4-dioxobutan-2-yl]hexadecane-1-sulfonamide

C20H39NO4S — CID 173342125

IUPACN-[(2S)-1,4-dioxobutan-2-yl]hexadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)N[C@H](C=O)CC=O
InChIInChI=1S/C20H39NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26(24,25)21-20(19-23)16-17-22/h17,19-21H,2-16,18H2,1H3/t20-/m0/s1
InChIKeyPOFQYQNEVBJCFO-FQEVSTJZSA-N
MW389.60 g/mol
LogP4.54
Rot. Bonds20

About N-[(2S)-1,4-dioxobutan-2-yl]hexadecane-1-sulfonamide

N-[(2S)-1,4-dioxobutan-2-yl]hexadecane-1-sulfonamide (PubChem CID 173342125) has the molecular formula C20H39NO4S and a molecular weight of 389.60 g/mol. Its IUPAC name is N-[(2S)-1,4-dioxobutan-2-yl]hexadecane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1,4-dioxobutan-2-yl]hexadecane-1-sulfonamide
PubChem CID173342125
Molecular FormulaC20H39NO4S
Molecular Weight389.60 g/mol
Exact Mass389.26
IUPAC NameN-[(2S)-1,4-dioxobutan-2-yl]hexadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)N[C@H](C=O)CC=O
InChIInChI=1S/C20H39NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26(24,25)21-20(19-23)16-17-22/h17,19-21H,2-16,18H2,1H3/t20-/m0/s1
InChIKeyPOFQYQNEVBJCFO-FQEVSTJZSA-N
XLogP4.54
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.60
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hexadecylbutanedial
CID 23443177
2-dodecylbutanedial
CID 19787656
sodium 1-(dodecylsulfonylamino)ethanesulfonate
CID 139898256
undecane-1-sulfonohydrazide
CID 174980858
N-(2-methylpropyl)hexadecane-1-sulfonamide
CID 22976871
1-methylsulfonylnonane
CID 19089493
N'-ethyldodecane-1-sulfonohydrazide
CID 174797545
N-pentylsulfonylundecanamide
CID 87719410
3-nonyldodecanal
CID 142613821
N-[3-(ethylamino)propyl]nonane-1-sulfonamide
CID 59769773
N-nonylsulfonylacetamide
CID 87711188
1-ethylsulfonylheptane
CID 19089519

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,4-dioxobutan-2-yl]hexadecane-1-sulfonamide?
The IUPAC name of N-[(2S)-1,4-dioxobutan-2-yl]hexadecane-1-sulfonamide (CID 173342125) is N-[(2S)-1,4-dioxobutan-2-yl]hexadecane-1-sulfonamide.
What is the SMILES notation for N-[(2S)-1,4-dioxobutan-2-yl]hexadecane-1-sulfonamide?
The canonical SMILES for N-[(2S)-1,4-dioxobutan-2-yl]hexadecane-1-sulfonamide is CCCCCCCCCCCCCCCCS(=O)(=O)N[C@H](C=O)CC=O.
What is the InChIKey of N-[(2S)-1,4-dioxobutan-2-yl]hexadecane-1-sulfonamide?
The InChIKey is POFQYQNEVBJCFO-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H39NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26(24,25)21-20(19-23)16-17-22/h17,19-21H,2-16,18H2,1H3/t20-/m0/s1.
What are the key properties of N-[(2S)-1,4-dioxobutan-2-yl]hexadecane-1-sulfonamide?
N-[(2S)-1,4-dioxobutan-2-yl]hexadecane-1-sulfonamide has a molecular weight of 389.60 g/mol, XLogP of 4.54, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1,4-dioxobutan-2-yl]hexadecane-1-sulfonamide is sourced from PubChem (CID 173342125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).