N-[[3-[[4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide

C25H26N4O5S — CID 56849264

IUPACN-[[3-[[4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2nn(Cc3cccc(CNC(C)=O)c3)c3cccc(OC)c23)cc1
InChIInChI=1S/C25H26N4O5S/c1-17(30)26-15-18-6-4-7-19(14-18)16-29-22-8-5-9-23(34-3)24(22)25(27-29)28-35(31,32)21-12-10-20(33-2)11-13-21/h4-14H,15-16H2,1-3H3,(H,26,30)(H,27,28)
InChIKeyYIGOPEXVPNGMFP-UHFFFAOYSA-N
MW494.57 g/mol
LogP3.54
Rot. Bonds9

About N-[[3-[[4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide

N-[[3-[[4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide (PubChem CID 56849264) has the molecular formula C25H26N4O5S and a molecular weight of 494.57 g/mol. Its IUPAC name is N-[[3-[[4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[[4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide
PubChem CID56849264
Molecular FormulaC25H26N4O5S
Molecular Weight494.57 g/mol
Exact Mass494.16
IUPAC NameN-[[3-[[4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2nn(Cc3cccc(CNC(C)=O)c3)c3cccc(OC)c23)cc1
InChIInChI=1S/C25H26N4O5S/c1-17(30)26-15-18-6-4-7-19(14-18)16-29-22-8-5-9-23(34-3)24(22)25(27-29)28-35(31,32)21-12-10-20(33-2)11-13-21/h4-14H,15-16H2,1-3H3,(H,26,30)(H,27,28)
InChIKeyYIGOPEXVPNGMFP-UHFFFAOYSA-N
XLogP3.54
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[3-[[4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide (CID 56849264) is N-[[3-[[4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[[4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[[4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide is COc1ccc(S(=O)(=O)Nc2nn(Cc3cccc(CNC(C)=O)c3)c3cccc(OC)c23)cc1.
What is the InChIKey of N-[[3-[[4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide?
The InChIKey is YIGOPEXVPNGMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5S/c1-17(30)26-15-18-6-4-7-19(14-18)16-29-22-8-5-9-23(34-3)24(22)25(27-29)28-35(31,32)21-12-10-20(33-2)11-13-21/h4-14H,15-16H2,1-3H3,(H,26,30)(H,27,28).
What are the key properties of N-[[3-[[4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide?
N-[[3-[[4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide has a molecular weight of 494.57 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 56849264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).