N-[[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]methyl]tetradecanamide

C23H38N2O3S — CID 54548029

IUPACN-[[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]methyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCNC(=O)CSc1ccc(O)cc1
InChIInChI=1S/C23H38N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(27)24-19-25-23(28)18-29-21-16-14-20(26)15-17-21/h14-17,26H,2-13,18-19H2,1H3,(H,24,27)(H,25,28)
InChIKeyZHXXZENAKZHKFS-UHFFFAOYSA-N
MW422.64 g/mol
LogP5.38
Rot. Bonds17

About N-[[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]methyl]tetradecanamide

N-[[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]methyl]tetradecanamide (PubChem CID 54548029) has the molecular formula C23H38N2O3S and a molecular weight of 422.64 g/mol. Its IUPAC name is N-[[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]methyl]tetradecanamide.

Molecular Properties

Compound NameN-[[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]methyl]tetradecanamide
PubChem CID54548029
Molecular FormulaC23H38N2O3S
Molecular Weight422.64 g/mol
Exact Mass422.26
IUPAC NameN-[[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]methyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCNC(=O)CSc1ccc(O)cc1
InChIInChI=1S/C23H38N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(27)24-19-25-23(28)18-29-21-16-14-20(26)15-17-21/h14-17,26H,2-13,18-19H2,1H3,(H,24,27)(H,25,28)
InChIKeyZHXXZENAKZHKFS-UHFFFAOYSA-N
XLogP5.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.64
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 67644596
N-[2-(4-hydroxyanilino)ethyl]octadecanamide
CID 54485525
N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide
CID 22082464
N-(3-aminopropyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 119405825
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637
N-[4-[2-(4-hydroxyphenyl)ethylamino]-4-oxobutyl]docosanamide
CID 59789165
N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide
CID 59961365
N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide
CID 59961397
N-(2-amino-2-ethylbutyl)-2-(4-hydroxyphenyl)sulfanylacetamide;hydrochloride
CID 119640688
1-(4-methylphenyl)sulfanyloctan-2-one
CID 66065161

Frequently Asked Questions

What is the IUPAC name of N-[[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]methyl]tetradecanamide?
The IUPAC name of N-[[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]methyl]tetradecanamide (CID 54548029) is N-[[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]methyl]tetradecanamide.
What is the SMILES notation for N-[[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]methyl]tetradecanamide?
The canonical SMILES for N-[[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]methyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NCNC(=O)CSc1ccc(O)cc1.
What is the InChIKey of N-[[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]methyl]tetradecanamide?
The InChIKey is ZHXXZENAKZHKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(27)24-19-25-23(28)18-29-21-16-14-20(26)15-17-21/h14-17,26H,2-13,18-19H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]methyl]tetradecanamide?
N-[[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]methyl]tetradecanamide has a molecular weight of 422.64 g/mol, XLogP of 5.38, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]methyl]tetradecanamide is sourced from PubChem (CID 54548029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).