N-(2-hydroxypropyl)-2-tetradecylsulfanylacetamide

C19H39NO2S — CID 87966580

IUPACN-(2-hydroxypropyl)-2-tetradecylsulfanylacetamide
SMILESCCCCCCCCCCCCCCSCC(=O)NCC(C)O
InChIInChI=1S/C19H39NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-23-17-19(22)20-16-18(2)21/h18,21H,3-17H2,1-2H3,(H,20,22)
InChIKeyXDQYDRZTNAXJRB-UHFFFAOYSA-N
MW345.59 g/mol
LogP4.92
Rot. Bonds17

About N-(2-hydroxypropyl)-2-tetradecylsulfanylacetamide

N-(2-hydroxypropyl)-2-tetradecylsulfanylacetamide (PubChem CID 87966580) has the molecular formula C19H39NO2S and a molecular weight of 345.59 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2-tetradecylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2-tetradecylsulfanylacetamide
PubChem CID87966580
Molecular FormulaC19H39NO2S
Molecular Weight345.59 g/mol
Exact Mass345.27
IUPAC NameN-(2-hydroxypropyl)-2-tetradecylsulfanylacetamide
SMILESCCCCCCCCCCCCCCSCC(=O)NCC(C)O
InChIInChI=1S/C19H39NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-23-17-19(22)20-16-18(2)21/h18,21H,3-17H2,1-2H3,(H,20,22)
InChIKeyXDQYDRZTNAXJRB-UHFFFAOYSA-N
XLogP4.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.59
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-octylsulfanylacetamide
CID 4583267
1,3-bis[(2-tetradecylsulfanylacetyl)amino]propan-2-yl 2-tetradecylsulfanylacetate
CID 10485934
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
N-(2-hydroxypropyl)-2-propan-2-ylsulfanylacetamide
CID 43418189
5-[(2-butylsulfanylacetyl)amino]-4-methylpentanoic acid
CID 82009881
N-(2-hydroxypropyl)dodecanamide;phosphoric acid
CID 175492996
2-pentylsulfanylacetohydrazide
CID 107760927
2-(cyanomethylsulfanyl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 83057845
1-hexyl-3-(2-hydroxypropyl)urea
CID 137320550
1-[[(Z)-octadec-9-enoyl]amino]propan-2-yl 2-tetradecylsulfanylacetate
CID 87967820
methyl 2-hexylsulfanylacetate
CID 12820437
N-butyl-2-(3-hydroxypropylsulfanyl)acetamide
CID 66127230

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-2-tetradecylsulfanylacetamide?
The IUPAC name of N-(2-hydroxypropyl)-2-tetradecylsulfanylacetamide (CID 87966580) is N-(2-hydroxypropyl)-2-tetradecylsulfanylacetamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2-tetradecylsulfanylacetamide?
The canonical SMILES for N-(2-hydroxypropyl)-2-tetradecylsulfanylacetamide is CCCCCCCCCCCCCCSCC(=O)NCC(C)O.
What is the InChIKey of N-(2-hydroxypropyl)-2-tetradecylsulfanylacetamide?
The InChIKey is XDQYDRZTNAXJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-23-17-19(22)20-16-18(2)21/h18,21H,3-17H2,1-2H3,(H,20,22).
What are the key properties of N-(2-hydroxypropyl)-2-tetradecylsulfanylacetamide?
N-(2-hydroxypropyl)-2-tetradecylsulfanylacetamide has a molecular weight of 345.59 g/mol, XLogP of 4.92, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-2-tetradecylsulfanylacetamide is sourced from PubChem (CID 87966580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).