N-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide

C13H19NO2S — CID 62026306

IUPACN-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide
SMILESCCCCNC(=O)C(C)Sc1ccccc1O
InChIInChI=1S/C13H19NO2S/c1-3-4-9-14-13(16)10(2)17-12-8-6-5-7-11(12)15/h5-8,10,15H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyPGZHXLBVKJILDF-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.79
Rot. Bonds6

About N-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide

N-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide (PubChem CID 62026306) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide
PubChem CID62026306
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide
SMILESCCCCNC(=O)C(C)Sc1ccccc1O
InChIInChI=1S/C13H19NO2S/c1-3-4-9-14-13(16)10(2)17-12-8-6-5-7-11(12)15/h5-8,10,15H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyPGZHXLBVKJILDF-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.79
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

(2R)-N-butyl-2-(2-methylfuran-3-yl)sulfanylpropanamide
CID 99630869
N-butyl-2-(2-hydroxyphenyl)sulfanylacetamide
CID 62028199
2-(2-amino-5-chlorophenyl)sulfanyl-N-butylpropanamide
CID 79527884
N-tert-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide
CID 62028576
N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43876418
N-[3-(methylamino)propyl]-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 119431118
(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide
CID 38016340
N-butyl-2-phenylpropanamide
CID 101453557
N-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 60718365
1-butyl-3-[(2-hydroxyphenyl)methyl]urea
CID 115598931
2-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid
CID 43089209
N-butyl-2-methyl-3-phenylpropanamide
CID 70830385

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide?
The IUPAC name of N-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide (CID 62026306) is N-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide is CCCCNC(=O)C(C)Sc1ccccc1O.
What is the InChIKey of N-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide?
The InChIKey is PGZHXLBVKJILDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-3-4-9-14-13(16)10(2)17-12-8-6-5-7-11(12)15/h5-8,10,15H,3-4,9H2,1-2H3,(H,14,16).
What are the key properties of N-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide?
N-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide has a molecular weight of 253.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 62026306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).