N-(1,2-dihydroacenaphthylen-5-yl)-4-(4-fluorophenyl)sulfanylbutanamide

C22H20FNOS — CID 8700493

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-4-(4-fluorophenyl)sulfanylbutanamide
SMILESO=C(CCCSc1ccc(F)cc1)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C22H20FNOS/c23-17-9-11-18(12-10-17)26-14-2-5-21(25)24-20-13-8-16-7-6-15-3-1-4-19(20)22(15)16/h1,3-4,8-13H,2,5-7,14H2,(H,24,25)
InChIKeyUAIYHUUQOOQEEW-UHFFFAOYSA-N
MW365.47 g/mol
LogP5.59
Rot. Bonds6

About N-(1,2-dihydroacenaphthylen-5-yl)-4-(4-fluorophenyl)sulfanylbutanamide

N-(1,2-dihydroacenaphthylen-5-yl)-4-(4-fluorophenyl)sulfanylbutanamide (PubChem CID 8700493) has the molecular formula C22H20FNOS and a molecular weight of 365.47 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-4-(4-fluorophenyl)sulfanylbutanamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-4-(4-fluorophenyl)sulfanylbutanamide
PubChem CID8700493
Molecular FormulaC22H20FNOS
Molecular Weight365.47 g/mol
Exact Mass365.12
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-4-(4-fluorophenyl)sulfanylbutanamide
SMILESO=C(CCCSc1ccc(F)cc1)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C22H20FNOS/c23-17-9-11-18(12-10-17)26-14-2-5-21(25)24-20-13-8-16-7-6-15-3-1-4-19(20)22(15)16/h1,3-4,8-13H,2,5-7,14H2,(H,24,25)
InChIKeyUAIYHUUQOOQEEW-UHFFFAOYSA-N
XLogP5.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1,2-dihydroacenaphthylen-5-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7544372
7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide
CID 119697802
4-(4-fluorophenyl)sulfanylbutanehydrazide
CID 63580028
4-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)butanamide
CID 2088465
4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide
CID 134059340
N-(2-benzoyl-4-methylphenyl)-4-(4-fluorophenyl)sulfanylbutanamide
CID 41086955
N-(1,2-dihydroacenaphthylen-5-yl)-4-(N-methylsulfonyl-2-phenoxyanilino)butanamide
CID 100503541
N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide
CID 41086197
4-(2,3-dichloro-N-methylsulfonylanilino)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide
CID 100500998
5-(4-fluorophenyl)sulfanyl-N-hydroxypentanamide
CID 137363853
N-(1,2-dihydroacenaphthylen-5-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18206563
N-(1,2-dihydroacenaphthylen-5-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 806562

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-4-(4-fluorophenyl)sulfanylbutanamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-4-(4-fluorophenyl)sulfanylbutanamide (CID 8700493) is N-(1,2-dihydroacenaphthylen-5-yl)-4-(4-fluorophenyl)sulfanylbutanamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-4-(4-fluorophenyl)sulfanylbutanamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-4-(4-fluorophenyl)sulfanylbutanamide is O=C(CCCSc1ccc(F)cc1)Nc1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-4-(4-fluorophenyl)sulfanylbutanamide?
The InChIKey is UAIYHUUQOOQEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNOS/c23-17-9-11-18(12-10-17)26-14-2-5-21(25)24-20-13-8-16-7-6-15-3-1-4-19(20)22(15)16/h1,3-4,8-13H,2,5-7,14H2,(H,24,25).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-4-(4-fluorophenyl)sulfanylbutanamide?
N-(1,2-dihydroacenaphthylen-5-yl)-4-(4-fluorophenyl)sulfanylbutanamide has a molecular weight of 365.47 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-4-(4-fluorophenyl)sulfanylbutanamide is sourced from PubChem (CID 8700493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).