N-[[3-[[6-fluoro-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide

C25H24F2N4O4S — CID 56849397

IUPACN-[[3-[[6-fluoro-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide
SMILESCOc1cc(F)cc2c1c(NS(=O)(=O)c1ccc(C)c(F)c1)nn2Cc1cccc(CNC(C)=O)c1
InChIInChI=1S/C25H24F2N4O4S/c1-15-7-8-20(12-21(15)27)36(33,34)30-25-24-22(10-19(26)11-23(24)35-3)31(29-25)14-18-6-4-5-17(9-18)13-28-16(2)32/h4-12H,13-14H2,1-3H3,(H,28,32)(H,29,30)
InChIKeyRDHSSVPKQBPRQX-UHFFFAOYSA-N
MW514.55 g/mol
LogP4.12
Rot. Bonds8

About N-[[3-[[6-fluoro-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide

N-[[3-[[6-fluoro-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide (PubChem CID 56849397) has the molecular formula C25H24F2N4O4S and a molecular weight of 514.55 g/mol. Its IUPAC name is N-[[3-[[6-fluoro-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[[6-fluoro-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide
PubChem CID56849397
Molecular FormulaC25H24F2N4O4S
Molecular Weight514.55 g/mol
Exact Mass514.15
IUPAC NameN-[[3-[[6-fluoro-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide
SMILESCOc1cc(F)cc2c1c(NS(=O)(=O)c1ccc(C)c(F)c1)nn2Cc1cccc(CNC(C)=O)c1
InChIInChI=1S/C25H24F2N4O4S/c1-15-7-8-20(12-21(15)27)36(33,34)30-25-24-22(10-19(26)11-23(24)35-3)31(29-25)14-18-6-4-5-17(9-18)13-28-16(2)32/h4-12H,13-14H2,1-3H3,(H,28,32)(H,29,30)
InChIKeyRDHSSVPKQBPRQX-UHFFFAOYSA-N
XLogP4.12
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.55
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[3-[[6-fluoro-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide with MolForge

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Related Compounds

N-[[3-[[6-fluoro-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-methyl-2-(methylamino)propanamide
CID 56848609
3-[3-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]propanamide
CID 123287803
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 66664381
2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide
CID 59456070
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55867336
N-[[3-[[4-acetyl-3-[(5-chlorothiophen-2-yl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide
CID 59456023
(2S)-2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]propanamide
CID 59456032
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-cyanoindazol-1-yl]methyl]phenyl]methyl]acetamide
CID 59456021
ethyl 4-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methylamino]-4-oxobutanoate
CID 56847221
(2S)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)propanamide
CID 59456106
N-[1-[[3-[(ethylideneamino)methyl]phenyl]methyl]-4-methoxyindazol-3-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 123211229
3-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methylcarbamoyl]benzoic acid
CID 59456094

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[6-fluoro-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[3-[[6-fluoro-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide (CID 56849397) is N-[[3-[[6-fluoro-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[[6-fluoro-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[[6-fluoro-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide is COc1cc(F)cc2c1c(NS(=O)(=O)c1ccc(C)c(F)c1)nn2Cc1cccc(CNC(C)=O)c1.
What is the InChIKey of N-[[3-[[6-fluoro-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide?
The InChIKey is RDHSSVPKQBPRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O4S/c1-15-7-8-20(12-21(15)27)36(33,34)30-25-24-22(10-19(26)11-23(24)35-3)31(29-25)14-18-6-4-5-17(9-18)13-28-16(2)32/h4-12H,13-14H2,1-3H3,(H,28,32)(H,29,30).
What are the key properties of N-[[3-[[6-fluoro-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide?
N-[[3-[[6-fluoro-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide has a molecular weight of 514.55 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[6-fluoro-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 56849397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).