2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide

C26H27N3OS — CID 72550463

IUPAC2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C26H27N3OS/c1-31-24-13-7-6-12-23(24)27-25(30)18-28-14-16-29(17-15-28)26-21-10-4-2-8-19(21)20-9-3-5-11-22(20)26/h2-13,26H,14-18H2,1H3,(H,27,30)
InChIKeyRRQYKSUTNLFPEO-UHFFFAOYSA-N
MW429.59 g/mol
LogP4.73
Rot. Bonds5

About 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide

2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 72550463) has the molecular formula C26H27N3OS and a molecular weight of 429.59 g/mol. Its IUPAC name is 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID72550463
Molecular FormulaC26H27N3OS
Molecular Weight429.59 g/mol
Exact Mass429.19
IUPAC Name2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C26H27N3OS/c1-31-24-13-7-6-12-23(24)27-25(30)18-28-14-16-29(17-15-28)26-21-10-4-2-8-19(21)20-9-3-5-11-22(20)26/h2-13,26H,14-18H2,1H3,(H,27,30)
InChIKeyRRQYKSUTNLFPEO-UHFFFAOYSA-N
XLogP4.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-methylacetamide
CID 8774574
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 18086210
2-[1-[2-(2-methylsulfanylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618693
2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-phenylethanone
CID 2814694
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 81452018
3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 24589387
2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 62660823
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 98304120
2-(4-cyclopropylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 60595733
2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 42913997
1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide
CID 16909372
2-(4-cyclopentylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 86928063

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide (CID 72550463) is 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is RRQYKSUTNLFPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3OS/c1-31-24-13-7-6-12-23(24)27-25(30)18-28-14-16-29(17-15-28)26-21-10-4-2-8-19(21)20-9-3-5-11-22(20)26/h2-13,26H,14-18H2,1H3,(H,27,30).
What are the key properties of 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide?
2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 429.59 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 72550463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).