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

C13H19NO2S — CID 62028576

IUPACN-tert-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide
SMILESCC(Sc1ccccc1O)C(=O)NC(C)(C)C
InChIInChI=1S/C13H19NO2S/c1-9(12(16)14-13(2,3)4)17-11-8-6-5-7-10(11)15/h5-9,15H,1-4H3,(H,14,16)
InChIKeyAPXORNKHNVTQPP-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.79
Rot. Bonds3

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

N-tert-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide (PubChem CID 62028576) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-tert-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide
PubChem CID62028576
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-tert-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide
SMILESCC(Sc1ccccc1O)C(=O)NC(C)(C)C
InChIInChI=1S/C13H19NO2S/c1-9(12(16)14-13(2,3)4)17-11-8-6-5-7-10(11)15/h5-9,15H,1-4H3,(H,14,16)
InChIKeyAPXORNKHNVTQPP-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

(2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214605
(2S)-N-tert-butyl-2-phenylsulfanylpropanamide
CID 875313
N-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide
CID 62026306
2-(4-aminophenyl)sulfanyl-N-tert-butylpropanamide
CID 19317772
N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide
CID 17416780
(2S)-N-tert-butyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 8736537
2-(3-aminophenyl)sulfanyl-N-tert-butylpropanamide
CID 79134421
2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylpropanamide
CID 79141528
N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51233862
(2S)-2-[(2-bromophenyl)methylsulfanyl]-N-tert-butylpropanamide
CID 95155457
5-[1-(tert-butylamino)-1-oxopropan-2-yl]sulfanylfuran-2-carboxylic acid
CID 63942969
N-tert-butyl-2-[(5-methyl-2-pyridinyl)sulfanyl]propanamide
CID 47159240

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide?
The IUPAC name of N-tert-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide (CID 62028576) is N-tert-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-tert-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-tert-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide is CC(Sc1ccccc1O)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide?
The InChIKey is APXORNKHNVTQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9(12(16)14-13(2,3)4)17-11-8-6-5-7-10(11)15/h5-9,15H,1-4H3,(H,14,16).
What are the key properties of N-tert-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide?
N-tert-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide has a molecular weight of 253.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 62028576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).