N-(3,5-dimethylphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide

C26H24N2OS — CID 3385592

IUPACN-(3,5-dimethylphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide
SMILESCc1cc(C)cc(NC(=O)C(Sc2cc(C)c3ccccc3n2)c2ccccc2)c1
InChIInChI=1S/C26H24N2OS/c1-17-13-18(2)15-21(14-17)27-26(29)25(20-9-5-4-6-10-20)30-24-16-19(3)22-11-7-8-12-23(22)28-24/h4-16,25H,1-3H3,(H,27,29)
InChIKeyIBQHURKSFXMLCB-UHFFFAOYSA-N
MW412.56 g/mol
LogP6.63
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide

N-(3,5-dimethylphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide (PubChem CID 3385592) has the molecular formula C26H24N2OS and a molecular weight of 412.56 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide
PubChem CID3385592
Molecular FormulaC26H24N2OS
Molecular Weight412.56 g/mol
Exact Mass412.16
IUPAC NameN-(3,5-dimethylphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide
SMILESCc1cc(C)cc(NC(=O)C(Sc2cc(C)c3ccccc3n2)c2ccccc2)c1
InChIInChI=1S/C26H24N2OS/c1-17-13-18(2)15-21(14-17)27-26(29)25(20-9-5-4-6-10-20)30-24-16-19(3)22-11-7-8-12-23(22)28-24/h4-16,25H,1-3H3,(H,27,29)
InChIKeyIBQHURKSFXMLCB-UHFFFAOYSA-N
XLogP6.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.56
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3,5-dimethylphenyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 2417834
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide
CID 2423301
N-(3,5-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide
CID 46301827
2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 3557418
N-(4-ethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide
CID 46301803
(2S)-2-(4-methylquinolin-2-yl)sulfanyl-N-(2,4,5-trichlorophenyl)propanamide
CID 2420043
N-(3,5-dimethylphenyl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 5201230
N-cyclopropyl-2-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylquinoline-4-carboxamide
CID 46645979
N-(2-methylpropyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide
CID 46621109
ethyl (2R)-2-(4-methylquinolin-2-yl)sulfanylbutanoate
CID 864913
(2R)-N-carbamoyl-3-methyl-2-(4-methylquinolin-2-yl)sulfanylbutanamide
CID 41328404
(2S)-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 41059482

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide (CID 3385592) is N-(3,5-dimethylphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide is Cc1cc(C)cc(NC(=O)C(Sc2cc(C)c3ccccc3n2)c2ccccc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide?
The InChIKey is IBQHURKSFXMLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2OS/c1-17-13-18(2)15-21(14-17)27-26(29)25(20-9-5-4-6-10-20)30-24-16-19(3)22-11-7-8-12-23(22)28-24/h4-16,25H,1-3H3,(H,27,29).
What are the key properties of N-(3,5-dimethylphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide?
N-(3,5-dimethylphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide has a molecular weight of 412.56 g/mol, XLogP of 6.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 3385592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).