N-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide

C17H20N2OS — CID 8813692

IUPACN-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)CSc1ccccn1
InChIInChI=1S/C17H20N2OS/c1-3-13(2)14-8-4-5-9-15(14)19-16(20)12-21-17-10-6-7-11-18-17/h4-11,13H,3,12H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyLEDOMAHWQWJEBT-CYBMUJFWSA-N
MW300.43 g/mol
LogP4.33
Rot. Bonds6

About N-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide

N-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 8813692) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID8813692
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)CSc1ccccn1
InChIInChI=1S/C17H20N2OS/c1-3-13(2)14-8-4-5-9-15(14)19-16(20)12-21-17-10-6-7-11-18-17/h4-11,13H,3,12H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyLEDOMAHWQWJEBT-CYBMUJFWSA-N
XLogP4.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 46544190
N-[2-[(2S)-butan-2-yl]phenyl]-2-quinolin-2-ylsulfanylacetamide
CID 7755322
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 889834
2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 2352126
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 7845285
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 889563
N-(2-butan-2-ylphenyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 17427354
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-[2-[(2S)-butan-2-yl]phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135574667
N-[2-[(2S)-butan-2-yl]phenyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7723801

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide (CID 8813692) is N-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide is CC[C@@H](C)c1ccccc1NC(=O)CSc1ccccn1.
What is the InChIKey of N-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is LEDOMAHWQWJEBT-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-3-13(2)14-8-4-5-9-15(14)19-16(20)12-21-17-10-6-7-11-18-17/h4-11,13H,3,12H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of N-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide?
N-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 300.43 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 8813692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).