N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-3-methylsulfonylpropanamide

C22H21F3N2O3S — CID 162389807

IUPACN-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C22H21F3N2O3S/c1-31(29,30)7-6-19(28)26-16-8-13(9-16)20-17-10-15(24)11-18(25)22(17)27-21(20)12-2-4-14(23)5-3-12/h2-5,10-11,13,16,27H,6-9H2,1H3,(H,26,28)
InChIKeySFLMTCXEKNFGOR-UHFFFAOYSA-N
MW450.48 g/mol
LogP4.05
Rot. Bonds6

About N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-3-methylsulfonylpropanamide

N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-3-methylsulfonylpropanamide (PubChem CID 162389807) has the molecular formula C22H21F3N2O3S and a molecular weight of 450.48 g/mol. Its IUPAC name is N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-3-methylsulfonylpropanamide
PubChem CID162389807
Molecular FormulaC22H21F3N2O3S
Molecular Weight450.48 g/mol
Exact Mass450.12
IUPAC NameN-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C22H21F3N2O3S/c1-31(29,30)7-6-19(28)26-16-8-13(9-16)20-17-10-15(24)11-18(25)22(17)27-21(20)12-2-4-14(23)5-3-12/h2-5,10-11,13,16,27H,6-9H2,1H3,(H,26,28)
InChIKeySFLMTCXEKNFGOR-UHFFFAOYSA-N
XLogP4.05
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-(oxetan-3-yl)acetamide
CID 162390075
2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]amino]acetamide
CID 156815991
2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]carbamoylamino]acetamide
CID 162389497
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-oxopropyl)cyclobutane-1-carboxamide
CID 166687209
N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-imidazol-1-ylpropanamide
CID 162390091
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutane-1-carboxylic acid
CID 156815718
1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea
CID 166008677
N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-5,5-dimethylpyrrolidine-2-carboxamide
CID 162389506
N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(methanesulfonamido)propanamide
CID 166579513
2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-(2-hydroxyethyl)acetamide
CID 156816429
N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-hydroxy-3-methylbutanamide
CID 162390081
3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;1-(3-hydroxycyclobutyl)-3-methylurea
CID 156815853

Frequently Asked Questions

What is the IUPAC name of N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-3-methylsulfonylpropanamide (CID 162389807) is N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)NC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1.
What is the InChIKey of N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-3-methylsulfonylpropanamide?
The InChIKey is SFLMTCXEKNFGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O3S/c1-31(29,30)7-6-19(28)26-16-8-13(9-16)20-17-10-15(24)11-18(25)22(17)27-21(20)12-2-4-14(23)5-3-12/h2-5,10-11,13,16,27H,6-9H2,1H3,(H,26,28).
What are the key properties of N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-3-methylsulfonylpropanamide?
N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-3-methylsulfonylpropanamide has a molecular weight of 450.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 162389807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).