N-[[3-[[4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazol-1-yl]methyl]phenyl]methyl]acetamide

C24H25N3O4S2 — CID 58054400

IUPACN-[[3-[[4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazol-1-yl]methyl]phenyl]methyl]acetamide
SMILESCOc1cccc2c1c(CS(=O)(=O)c1ccc(C)s1)nn2Cc1cccc(CNC(C)=O)c1
InChIInChI=1S/C24H25N3O4S2/c1-16-10-11-23(32-16)33(29,30)15-20-24-21(8-5-9-22(24)31-3)27(26-20)14-19-7-4-6-18(12-19)13-25-17(2)28/h4-12H,13-15H2,1-3H3,(H,25,28)
InChIKeyNTXRJWLGYYUUDT-UHFFFAOYSA-N
MW483.62 g/mol
LogP4.07
Rot. Bonds8

About N-[[3-[[4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazol-1-yl]methyl]phenyl]methyl]acetamide

N-[[3-[[4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazol-1-yl]methyl]phenyl]methyl]acetamide (PubChem CID 58054400) has the molecular formula C24H25N3O4S2 and a molecular weight of 483.62 g/mol. Its IUPAC name is N-[[3-[[4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazol-1-yl]methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[[4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazol-1-yl]methyl]phenyl]methyl]acetamide
PubChem CID58054400
Molecular FormulaC24H25N3O4S2
Molecular Weight483.62 g/mol
Exact Mass483.13
IUPAC NameN-[[3-[[4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazol-1-yl]methyl]phenyl]methyl]acetamide
SMILESCOc1cccc2c1c(CS(=O)(=O)c1ccc(C)s1)nn2Cc1cccc(CNC(C)=O)c1
InChIInChI=1S/C24H25N3O4S2/c1-16-10-11-23(32-16)33(29,30)15-20-24-21(8-5-9-22(24)31-3)27(26-20)14-19-7-4-6-18(12-19)13-25-17(2)28/h4-12H,13-15H2,1-3H3,(H,25,28)
InChIKeyNTXRJWLGYYUUDT-UHFFFAOYSA-N
XLogP4.07
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazol-1-yl]methyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[3-[[4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazol-1-yl]methyl]phenyl]methyl]acetamide (CID 58054400) is N-[[3-[[4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazol-1-yl]methyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[[4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazol-1-yl]methyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[[4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazol-1-yl]methyl]phenyl]methyl]acetamide is COc1cccc2c1c(CS(=O)(=O)c1ccc(C)s1)nn2Cc1cccc(CNC(C)=O)c1.
What is the InChIKey of N-[[3-[[4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazol-1-yl]methyl]phenyl]methyl]acetamide?
The InChIKey is NTXRJWLGYYUUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S2/c1-16-10-11-23(32-16)33(29,30)15-20-24-21(8-5-9-22(24)31-3)27(26-20)14-19-7-4-6-18(12-19)13-25-17(2)28/h4-12H,13-15H2,1-3H3,(H,25,28).
What are the key properties of N-[[3-[[4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazol-1-yl]methyl]phenyl]methyl]acetamide?
N-[[3-[[4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazol-1-yl]methyl]phenyl]methyl]acetamide has a molecular weight of 483.62 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazol-1-yl]methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 58054400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).