N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide

C22H21FN2O3S — CID 133229238

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
SMILESCC(C(=O)Nc1ccc2c3c(cccc13)CC2)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C22H21FN2O3S/c1-14(25(29(2,27)28)18-11-9-17(23)10-12-18)22(26)24-20-13-8-16-7-6-15-4-3-5-19(20)21(15)16/h3-5,8-14H,6-7H2,1-2H3,(H,24,26)
InChIKeyYDURKXRNMKBQTQ-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.87
Rot. Bonds5

About N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide

N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide (PubChem CID 133229238) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
PubChem CID133229238
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
SMILESCC(C(=O)Nc1ccc2c3c(cccc13)CC2)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C22H21FN2O3S/c1-14(25(29(2,27)28)18-11-9-17(23)10-12-18)22(26)24-20-13-8-16-7-6-15-4-3-5-19(20)21(15)16/h3-5,8-14H,6-7H2,1-2H3,(H,24,26)
InChIKeyYDURKXRNMKBQTQ-UHFFFAOYSA-N
XLogP3.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 125058094
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 124561242
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 40965051
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 8991418
(2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 8991456
(2R)-N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 124561263
(2R)-N-(2,4-difluorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2239790
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide
CID 126384842
(2R)-N-(3-acetylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 8991470
N-(2,4-difluorophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 2927652
2-(4-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 84894608
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100565576

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide (CID 133229238) is N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide is CC(C(=O)Nc1ccc2c3c(cccc13)CC2)N(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is YDURKXRNMKBQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-14(25(29(2,27)28)18-11-9-17(23)10-12-18)22(26)24-20-13-8-16-7-6-15-4-3-5-19(20)21(15)16/h3-5,8-14H,6-7H2,1-2H3,(H,24,26).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide?
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 412.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 133229238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).