N-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide

C18H22N2OS — CID 46544190

IUPACN-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCCC(C)c1ccccc1NC(=O)C(C)Sc1ccccn1
InChIInChI=1S/C18H22N2OS/c1-4-13(2)15-9-5-6-10-16(15)20-18(21)14(3)22-17-11-7-8-12-19-17/h5-14H,4H2,1-3H3,(H,20,21)
InChIKeyCGQPQFGUWQBGBX-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.71
Rot. Bonds6

About N-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide

N-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 46544190) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide
PubChem CID46544190
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCCC(C)c1ccccc1NC(=O)C(C)Sc1ccccn1
InChIInChI=1S/C18H22N2OS/c1-4-13(2)15-9-5-6-10-16(15)20-18(21)14(3)22-17-11-7-8-12-19-17/h5-14H,4H2,1-3H3,(H,20,21)
InChIKeyCGQPQFGUWQBGBX-UHFFFAOYSA-N
XLogP4.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 8813692
2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51234179
(2R)-N-(2-phenylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 40550522
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 7284399
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907596
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7499841
(2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 26806694
(2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-[(2R)-butan-2-yl]phenyl]propanamide
CID 7977762
N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 16530287
N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 51234191
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145064

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide (CID 46544190) is N-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide is CCC(C)c1ccccc1NC(=O)C(C)Sc1ccccn1.
What is the InChIKey of N-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is CGQPQFGUWQBGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-4-13(2)15-9-5-6-10-16(15)20-18(21)14(3)22-17-11-7-8-12-19-17/h5-14H,4H2,1-3H3,(H,20,21).
What are the key properties of N-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide?
N-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 314.45 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 46544190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).