N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide

C19H26FN3OS — CID 143618482

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide
SMILESCc1ccc(SC(C)(C)C(=O)Nc2cc(C(C)(C)C)nn2C)cc1F
InChIInChI=1S/C19H26FN3OS/c1-12-8-9-13(10-14(12)20)25-19(5,6)17(24)21-16-11-15(18(2,3)4)22-23(16)7/h8-11H,1-7H3,(H,21,24)
InChIKeyHVDKKCDPDSEDRQ-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.67
Rot. Bonds4

About N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide (PubChem CID 143618482) has the molecular formula C19H26FN3OS and a molecular weight of 363.50 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide
PubChem CID143618482
Molecular FormulaC19H26FN3OS
Molecular Weight363.50 g/mol
Exact Mass363.18
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide
SMILESCc1ccc(SC(C)(C)C(=O)Nc2cc(C(C)(C)C)nn2C)cc1F
InChIInChI=1S/C19H26FN3OS/c1-12-8-9-13(10-14(12)20)25-19(5,6)17(24)21-16-11-15(18(2,3)4)22-23(16)7/h8-11H,1-7H3,(H,21,24)
InChIKeyHVDKKCDPDSEDRQ-UHFFFAOYSA-N
XLogP4.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide (CID 143618482) is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide is Cc1ccc(SC(C)(C)C(=O)Nc2cc(C(C)(C)C)nn2C)cc1F.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide?
The InChIKey is HVDKKCDPDSEDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3OS/c1-12-8-9-13(10-14(12)20)25-19(5,6)17(24)21-16-11-15(18(2,3)4)22-23(16)7/h8-11H,1-7H3,(H,21,24).
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide has a molecular weight of 363.50 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide is sourced from PubChem (CID 143618482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).