N-(2,3-dihydroxypropyl)-2-tetradecylsulfanylacetamide

C19H39NO3S — CID 10383985

IUPACN-(2,3-dihydroxypropyl)-2-tetradecylsulfanylacetamide
SMILESCCCCCCCCCCCCCCSCC(=O)NCC(O)CO
InChIInChI=1S/C19H39NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-17-19(23)20-15-18(22)16-21/h18,21-22H,2-17H2,1H3,(H,20,23)
InChIKeyWSWIDCXXMZFWDH-UHFFFAOYSA-N
MW361.59 g/mol
LogP3.89
Rot. Bonds18

About N-(2,3-dihydroxypropyl)-2-tetradecylsulfanylacetamide

N-(2,3-dihydroxypropyl)-2-tetradecylsulfanylacetamide (PubChem CID 10383985) has the molecular formula C19H39NO3S and a molecular weight of 361.59 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-tetradecylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-tetradecylsulfanylacetamide
PubChem CID10383985
Molecular FormulaC19H39NO3S
Molecular Weight361.59 g/mol
Exact Mass361.27
IUPAC NameN-(2,3-dihydroxypropyl)-2-tetradecylsulfanylacetamide
SMILESCCCCCCCCCCCCCCSCC(=O)NCC(O)CO
InChIInChI=1S/C19H39NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-17-19(23)20-15-18(22)16-21/h18,21-22H,2-17H2,1H3,(H,20,23)
InChIKeyWSWIDCXXMZFWDH-UHFFFAOYSA-N
XLogP3.89
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.59
LogP ≤ 53.89
H-Bond Donors ≤ 53
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-(2,3-dihydroxypropyl)-2-tetradecylsulfanylacetamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-tetradecylsulfanylacetamide (CID 10383985) is N-(2,3-dihydroxypropyl)-2-tetradecylsulfanylacetamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-tetradecylsulfanylacetamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-tetradecylsulfanylacetamide is CCCCCCCCCCCCCCSCC(=O)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-tetradecylsulfanylacetamide?
The InChIKey is WSWIDCXXMZFWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-17-19(23)20-15-18(22)16-21/h18,21-22H,2-17H2,1H3,(H,20,23).
What are the key properties of N-(2,3-dihydroxypropyl)-2-tetradecylsulfanylacetamide?
N-(2,3-dihydroxypropyl)-2-tetradecylsulfanylacetamide has a molecular weight of 361.59 g/mol, XLogP of 3.89, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-tetradecylsulfanylacetamide is sourced from PubChem (CID 10383985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).