N-(3-fluoro-4-methylphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide

C22H21FN2OS — CID 5323047

IUPACN-(3-fluoro-4-methylphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
SMILESCc1ccc(NC(=O)CSc2c3c(nc4ccccc24)CCCC3)cc1F
InChIInChI=1S/C22H21FN2OS/c1-14-10-11-15(12-18(14)23)24-21(26)13-27-22-16-6-2-4-8-19(16)25-20-9-5-3-7-17(20)22/h2,4,6,8,10-12H,3,5,7,9,13H2,1H3,(H,24,26)
InChIKeyZXKVXSMSUNSBFH-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.29
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide

N-(3-fluoro-4-methylphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide (PubChem CID 5323047) has the molecular formula C22H21FN2OS and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
PubChem CID5323047
Molecular FormulaC22H21FN2OS
Molecular Weight380.49 g/mol
Exact Mass380.14
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
SMILESCc1ccc(NC(=O)CSc2c3c(nc4ccccc24)CCCC3)cc1F
InChIInChI=1S/C22H21FN2OS/c1-14-10-11-15(12-18(14)23)24-21(26)13-27-22-16-6-2-4-8-19(16)25-20-9-5-3-7-17(20)22/h2,4,6,8,10-12H,3,5,7,9,13H2,1H3,(H,24,26)
InChIKeyZXKVXSMSUNSBFH-UHFFFAOYSA-N
XLogP5.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide (CID 5323047) is N-(3-fluoro-4-methylphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide is Cc1ccc(NC(=O)CSc2c3c(nc4ccccc24)CCCC3)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
The InChIKey is ZXKVXSMSUNSBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2OS/c1-14-10-11-15(12-18(14)23)24-21(26)13-27-22-16-6-2-4-8-19(16)25-20-9-5-3-7-17(20)22/h2,4,6,8,10-12H,3,5,7,9,13H2,1H3,(H,24,26).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
N-(3-fluoro-4-methylphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide has a molecular weight of 380.49 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide is sourced from PubChem (CID 5323047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).