N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-6-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide

C22H20ClFN4O4S2 — CID 59455990

IUPACN-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-6-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide
SMILESCOc1cc(F)cc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(C)=O)c1
InChIInChI=1S/C22H20ClFN4O4S2/c1-13(29)25-11-14-4-3-5-15(8-14)12-28-17-9-16(24)10-18(32-2)21(17)22(26-28)27-34(30,31)20-7-6-19(23)33-20/h3-10H,11-12H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyGBCHVZPQMAAJPG-UHFFFAOYSA-N
MW523.01 g/mol
LogP4.38
Rot. Bonds8

About N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-6-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide

N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-6-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide (PubChem CID 59455990) has the molecular formula C22H20ClFN4O4S2 and a molecular weight of 523.01 g/mol. Its IUPAC name is N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-6-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-6-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide
PubChem CID59455990
Molecular FormulaC22H20ClFN4O4S2
Molecular Weight523.01 g/mol
Exact Mass522.06
IUPAC NameN-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-6-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide
SMILESCOc1cc(F)cc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(C)=O)c1
InChIInChI=1S/C22H20ClFN4O4S2/c1-13(29)25-11-14-4-3-5-15(8-14)12-28-17-9-16(24)10-18(32-2)21(17)22(26-28)27-34(30,31)20-7-6-19(23)33-20/h3-10H,11-12H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyGBCHVZPQMAAJPG-UHFFFAOYSA-N
XLogP4.38
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.01
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-6-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-6-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide (CID 59455990) is N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-6-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-6-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-6-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide is COc1cc(F)cc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(C)=O)c1.
What is the InChIKey of N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-6-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide?
The InChIKey is GBCHVZPQMAAJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O4S2/c1-13(29)25-11-14-4-3-5-15(8-14)12-28-17-9-16(24)10-18(32-2)21(17)22(26-28)27-34(30,31)20-7-6-19(23)33-20/h3-10H,11-12H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-6-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide?
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-6-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide has a molecular weight of 523.01 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-6-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 59455990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).