(2R)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C19H22N4OS — CID 41041760

IUPAC(2R)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1cc(C)c2ccccc2n1
InChIInChI=1S/C19H22N4OS/c1-11-10-17(20-16-9-7-6-8-15(11)16)25-14(4)19(24)21-18-12(2)22-23(5)13(18)3/h6-10,14H,1-5H3,(H,21,24)/t14-/m1/s1
InChIKeyQTSJEQUPKCJCIS-CQSZACIVSA-N
MW354.48 g/mol
LogP4.01
Rot. Bonds4

About (2R)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2R)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 41041760) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is (2R)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID41041760
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name(2R)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1cc(C)c2ccccc2n1
InChIInChI=1S/C19H22N4OS/c1-11-10-17(20-16-9-7-6-8-15(11)16)25-14(4)19(24)21-18-12(2)22-23(5)13(18)3/h6-10,14H,1-5H3,(H,21,24)/t14-/m1/s1
InChIKeyQTSJEQUPKCJCIS-CQSZACIVSA-N
XLogP4.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-naphthalen-2-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8883520
(2S)-2-(4-methylquinolin-2-yl)sulfanyl-N-(2,4,5-trichlorophenyl)propanamide
CID 2420043
(2S)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8887862
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 46610477
(2S)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8849031
2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 18203456
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 46610269
2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 3557418
N-(2-methylpropyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide
CID 46621109
(2S)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 42272488
(2S)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8752080
(2S)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2R)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 41041760) is (2R)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2R)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1cc(C)c2ccccc2n1.
What is the InChIKey of (2R)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is QTSJEQUPKCJCIS-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-11-10-17(20-16-9-7-6-8-15(11)16)25-14(4)19(24)21-18-12(2)22-23(5)13(18)3/h6-10,14H,1-5H3,(H,21,24)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2R)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 354.48 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 41041760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).