(2R)-2-naphthalen-2-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C19H21N3OS — CID 8883520

IUPAC(2R)-2-naphthalen-2-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1ccc2ccccc2c1
InChIInChI=1S/C19H21N3OS/c1-12-18(13(2)22(4)21-12)20-19(23)14(3)24-17-10-9-15-7-5-6-8-16(15)11-17/h5-11,14H,1-4H3,(H,20,23)/t14-/m1/s1
InChIKeyODLZFBWEEAVKRU-CQSZACIVSA-N
MW339.46 g/mol
LogP4.31
Rot. Bonds4

About (2R)-2-naphthalen-2-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2R)-2-naphthalen-2-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 8883520) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is (2R)-2-naphthalen-2-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-naphthalen-2-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID8883520
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name(2R)-2-naphthalen-2-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1ccc2ccccc2c1
InChIInChI=1S/C19H21N3OS/c1-12-18(13(2)22(4)21-12)20-19(23)14(3)24-17-10-9-15-7-5-6-8-16(15)11-17/h5-11,14H,1-4H3,(H,20,23)/t14-/m1/s1
InChIKeyODLZFBWEEAVKRU-CQSZACIVSA-N
XLogP4.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8647899
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17410760
(2R)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41041760
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 46610269
(2S)-2-(2,5-difluorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8972361
2-(2,5-dichlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 46610623
(2S)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8845102
(2S)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 95083634
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 42897188
(2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8752448
2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 60614414
(2R)-N-(2-chlorophenyl)-2-naphthalen-2-ylsulfanylpropanamide
CID 8957293

Frequently Asked Questions

What is the IUPAC name of (2R)-2-naphthalen-2-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2R)-2-naphthalen-2-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 8883520) is (2R)-2-naphthalen-2-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2R)-2-naphthalen-2-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2R)-2-naphthalen-2-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-naphthalen-2-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is ODLZFBWEEAVKRU-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-12-18(13(2)22(4)21-12)20-19(23)14(3)24-17-10-9-15-7-5-6-8-16(15)11-17/h5-11,14H,1-4H3,(H,20,23)/t14-/m1/s1.
What are the key properties of (2R)-2-naphthalen-2-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2R)-2-naphthalen-2-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 339.46 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-naphthalen-2-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 8883520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).