N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide

C17H20N2OS — CID 2747614

IUPACN-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCC(C)(C)c1ccc(NC(=O)CSc2ccccn2)cc1
InChIInChI=1S/C17H20N2OS/c1-17(2,3)13-7-9-14(10-8-13)19-15(20)12-21-16-6-4-5-11-18-16/h4-11H,12H2,1-3H3,(H,19,20)
InChIKeyWHZCPSAIUKZWBH-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.11
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide

N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 2747614) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID2747614
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCC(C)(C)c1ccc(NC(=O)CSc2ccccn2)cc1
InChIInChI=1S/C17H20N2OS/c1-17(2,3)13-7-9-14(10-8-13)19-15(20)12-21-16-6-4-5-11-18-16/h4-11H,12H2,1-3H3,(H,19,20)
InChIKeyWHZCPSAIUKZWBH-UHFFFAOYSA-N
XLogP4.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 2964221
N-[4-(diethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 16530316
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 684468
N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670646
N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670571
5-[(2-pyridin-2-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylic acid
CID 708008
N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 882650
N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 763188
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
2-[tert-butyl-(2-pyridin-2-ylsulfanylacetyl)amino]-N-(4-fluorophenyl)acetamide
CID 9347230
N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
CID 37063876

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide (CID 2747614) is N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide is CC(C)(C)c1ccc(NC(=O)CSc2ccccn2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is WHZCPSAIUKZWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-17(2,3)13-7-9-14(10-8-13)19-15(20)12-21-16-6-4-5-11-18-16/h4-11H,12H2,1-3H3,(H,19,20).
What are the key properties of N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide?
N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 300.43 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 2747614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).