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

C23H24F3N3O3S — CID 166579513

IUPACN-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(methanesulfonamido)propanamide
SMILESCC(NS(C)(=O)=O)C(=O)NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C23H24F3N3O3S/c1-12(29-33(2,31)32)23(30)27-11-13-7-15(8-13)20-18-9-17(25)10-19(26)22(18)28-21(20)14-3-5-16(24)6-4-14/h3-6,9-10,12-13,15,28-29H,7-8,11H2,1-2H3,(H,27,30)
InChIKeyHHBNEATUJQJHKQ-UHFFFAOYSA-N
MW479.52 g/mol
LogP3.80
Rot. Bonds7

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

N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(methanesulfonamido)propanamide (PubChem CID 166579513) has the molecular formula C23H24F3N3O3S and a molecular weight of 479.52 g/mol. Its IUPAC name is N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(methanesulfonamido)propanamide
PubChem CID166579513
Molecular FormulaC23H24F3N3O3S
Molecular Weight479.52 g/mol
Exact Mass479.15
IUPAC NameN-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(methanesulfonamido)propanamide
SMILESCC(NS(C)(=O)=O)C(=O)NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C23H24F3N3O3S/c1-12(29-33(2,31)32)23(30)27-11-13-7-15(8-13)20-18-9-17(25)10-19(26)22(18)28-21(20)14-3-5-16(24)6-4-14/h3-6,9-10,12-13,15,28-29H,7-8,11H2,1-2H3,(H,27,30)
InChIKeyHHBNEATUJQJHKQ-UHFFFAOYSA-N
XLogP3.80
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide
CID 166579586
(2S)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-hydroxypropanamide
CID 162389653
N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-hydroxy-3-methylbutanamide
CID 162390081
(2R)-N-[[3-[5,7-difluoro-2-(4-methylphenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide
CID 162389513
(2S)-2-acetamido-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-hydroxypropanamide
CID 166579563
(2R,3R)-2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylsulfamoylamino]butane-1,3-diol
CID 166891123
3-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 156816020
1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(2-hydroxyethyl)urea
CID 156816001
1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea
CID 156816112
(2S)-2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylsulfamoylamino]-3,3-difluoropropan-1-ol
CID 166891079
1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea
CID 166008677
1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-[(1-hydroxycyclopropyl)methyl]urea
CID 156816375

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(methanesulfonamido)propanamide?
The IUPAC name of N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(methanesulfonamido)propanamide (CID 166579513) is N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(methanesulfonamido)propanamide.
What is the SMILES notation for N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(methanesulfonamido)propanamide?
The canonical SMILES for N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(methanesulfonamido)propanamide is CC(NS(C)(=O)=O)C(=O)NCC1CC(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]methyl]-2-(methanesulfonamido)propanamide?
The InChIKey is HHBNEATUJQJHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3S/c1-12(29-33(2,31)32)23(30)27-11-13-7-15(8-13)20-18-9-17(25)10-19(26)22(18)28-21(20)14-3-5-16(24)6-4-14/h3-6,9-10,12-13,15,28-29H,7-8,11H2,1-2H3,(H,27,30).
What are the key properties of N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(methanesulfonamido)propanamide?
N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(methanesulfonamido)propanamide has a molecular weight of 479.52 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 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]methyl]-2-(methanesulfonamido)propanamide is sourced from PubChem (CID 166579513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).