N-tert-butyl-2-(4-methylphenyl)sulfanylpropanamide

C14H21NOS — CID 2943661

IUPACN-tert-butyl-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H21NOS/c1-10-6-8-12(9-7-10)17-11(2)13(16)15-14(3,4)5/h6-9,11H,1-5H3,(H,15,16)
InChIKeySDJLPBUXGLBUJE-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.39
Rot. Bonds3

About N-tert-butyl-2-(4-methylphenyl)sulfanylpropanamide

N-tert-butyl-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 2943661) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is N-tert-butyl-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID2943661
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC NameN-tert-butyl-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H21NOS/c1-10-6-8-12(9-7-10)17-11(2)13(16)15-14(3,4)5/h6-9,11H,1-5H3,(H,15,16)
InChIKeySDJLPBUXGLBUJE-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 16196257
2-((2-Methylphenyl)thio)-acetamide
CID 36074
Acetamide, 2-(p-tolylthio)-
CID 51918
2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 846730
3-[(4-methylphenyl)sulfanyl]-N-(propan-2-yl)propanamide
CID 848239
N,N-dimethyl-3-[(4-methylphenyl)thio]propanamide
CID 893856
N-tert-butyl-3-[(4-methylphenyl)sulfanyl]propanamide
CID 900385
2-[(4-Tert-butylphenyl)sulfanyl]acetamide
CID 975595
N-[2-(1-cyclohexen-1-yl)ethyl]-2-[(4-methylphenyl)thio]acetamide
CID 2175467
N-(2-tert-butylsulfanylethyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2289294
N-[2-(benzylthio)ethyl]-2-[(4-methylphenyl)thio]acetamide
CID 2899613
N-[2-(1-cyclohexen-1-yl)ethyl]-2-[(4-methylphenyl)thio]propanamide
CID 2947047

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-tert-butyl-2-(4-methylphenyl)sulfanylpropanamide (CID 2943661) is N-tert-butyl-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-tert-butyl-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-tert-butyl-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SC(C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is SDJLPBUXGLBUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-10-6-8-12(9-7-10)17-11(2)13(16)15-14(3,4)5/h6-9,11H,1-5H3,(H,15,16).
What are the key properties of N-tert-butyl-2-(4-methylphenyl)sulfanylpropanamide?
N-tert-butyl-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 251.40 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 2943661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).