N-[2,6-bis(phenylsulfanyl)-3-pyridinyl]-2,2-dimethylpropanamide

C22H22N2OS2 — CID 2741579

IUPACN-[2,6-bis(phenylsulfanyl)-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Sc2ccccc2)nc1Sc1ccccc1
InChIInChI=1S/C22H22N2OS2/c1-22(2,3)21(25)23-18-14-15-19(26-16-10-6-4-7-11-16)24-20(18)27-17-12-8-5-9-13-17/h4-15H,1-3H3,(H,23,25)
InChIKeyFCISTJNKJHPDMD-UHFFFAOYSA-N
MW394.57 g/mol
LogP6.37
Rot. Bonds5

About N-[2,6-bis(phenylsulfanyl)-3-pyridinyl]-2,2-dimethylpropanamide

N-[2,6-bis(phenylsulfanyl)-3-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 2741579) has the molecular formula C22H22N2OS2 and a molecular weight of 394.57 g/mol. Its IUPAC name is N-[2,6-bis(phenylsulfanyl)-3-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2,6-bis(phenylsulfanyl)-3-pyridinyl]-2,2-dimethylpropanamide
PubChem CID2741579
Molecular FormulaC22H22N2OS2
Molecular Weight394.57 g/mol
Exact Mass394.12
IUPAC NameN-[2,6-bis(phenylsulfanyl)-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Sc2ccccc2)nc1Sc1ccccc1
InChIInChI=1S/C22H22N2OS2/c1-22(2,3)21(25)23-18-14-15-19(26-16-10-6-4-7-11-16)24-20(18)27-17-12-8-5-9-13-17/h4-15H,1-3H3,(H,23,25)
InChIKeyFCISTJNKJHPDMD-UHFFFAOYSA-N
XLogP6.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.57
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(tert-butylsulfonylamino)-N-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)cyclohexane-1-carboxamide
CID 20630809
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
2,2-dimethyl-N-[2-[phenyl(sulfanyl)methyl]phenyl]propanamide
CID 10828026
N-anthracen-1-yl-2,2-dimethylpropanamide
CID 54051117
N-[5-(4-bromophenyl)sulfanylquinolin-8-yl]-2,2-dimethylpropanamide
CID 141418907
2,2-dimethyl-N-[2-[(R)-phenyl(trimethylstannyl)methyl]phenyl]propanamide
CID 177388876
4-(2,2-dimethylpropanoylamino)-3-hydroxybenzoic acid
CID 55024977
N-(2-fluoro-4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 64795167
N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
CID 14911507
N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894
methyl 2-(2,2-dimethylpropanoylamino)benzoate
CID 546733
2-methyl-6-phenylsulfanylpyridine-3-carbaldehyde
CID 102546006

Frequently Asked Questions

What is the IUPAC name of N-[2,6-bis(phenylsulfanyl)-3-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2,6-bis(phenylsulfanyl)-3-pyridinyl]-2,2-dimethylpropanamide (CID 2741579) is N-[2,6-bis(phenylsulfanyl)-3-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2,6-bis(phenylsulfanyl)-3-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2,6-bis(phenylsulfanyl)-3-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(Sc2ccccc2)nc1Sc1ccccc1.
What is the InChIKey of N-[2,6-bis(phenylsulfanyl)-3-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is FCISTJNKJHPDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2OS2/c1-22(2,3)21(25)23-18-14-15-19(26-16-10-6-4-7-11-16)24-20(18)27-17-12-8-5-9-13-17/h4-15H,1-3H3,(H,23,25).
What are the key properties of N-[2,6-bis(phenylsulfanyl)-3-pyridinyl]-2,2-dimethylpropanamide?
N-[2,6-bis(phenylsulfanyl)-3-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 394.57 g/mol, XLogP of 6.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-bis(phenylsulfanyl)-3-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 2741579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).