4-methyl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide

C23H24N2O2S — CID 51065900

IUPAC4-methyl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
SMILESCSCCC(NC(=O)c1ccc(C)cc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H24N2O2S/c1-16-7-9-18(10-8-16)22(26)25-21(13-14-28-2)23(27)24-20-12-11-17-5-3-4-6-19(17)15-20/h3-12,15,21H,13-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyDCWYIAKAHUQBSR-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.64
Rot. Bonds7

About 4-methyl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide

4-methyl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide (PubChem CID 51065900) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 4-methyl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
PubChem CID51065900
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name4-methyl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
SMILESCSCCC(NC(=O)c1ccc(C)cc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H24N2O2S/c1-16-7-9-18(10-8-16)22(26)25-21(13-14-28-2)23(27)24-20-12-11-17-5-3-4-6-19(17)15-20/h3-12,15,21H,13-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyDCWYIAKAHUQBSR-UHFFFAOYSA-N
XLogP4.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(2S)-1-(3-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 9341786
4-methoxy-N-[(2S)-4-methylsulfanyl-1-oxo-1-(4-phenylanilino)butan-2-yl]benzamide
CID 40810651
N-[(2R)-1-(3-fluoro-4-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 9216131
N-[4-methyl-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 3024355
N-[(2R)-1-(4-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide
CID 8760087
N-[(2S)-1-(3-chloro-4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 9468416
2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride
CID 18408186
(2S)-2-(carbamoylamino)-N-(4-methylphenyl)-4-methylsulfanylbutanamide
CID 2455996
4-chloro-N-[1-(3-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 51065776
N-[(2R)-1-(1H-indazol-5-ylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 97072071
2-bromo-N-[1-(3-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 43001578
N-[1-(2,5-dimethylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55334670

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-methyl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide (CID 51065900) is 4-methyl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-methyl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide is CSCCC(NC(=O)c1ccc(C)cc1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 4-methyl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide?
The InChIKey is DCWYIAKAHUQBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-16-7-9-18(10-8-16)22(26)25-21(13-14-28-2)23(27)24-20-12-11-17-5-3-4-6-19(17)15-20/h3-12,15,21H,13-14H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 4-methyl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide?
4-methyl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide has a molecular weight of 392.52 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 51065900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).