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

C23H23ClN4O4S2 — CID 70685474

IUPACN-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-N-methylacetamide
SMILESCOc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CN(C)C(C)=O)c1
InChIInChI=1S/C23H23ClN4O4S2/c1-15(29)27(2)13-16-6-4-7-17(12-16)14-28-18-8-5-9-19(32-3)22(18)23(25-28)26-34(30,31)21-11-10-20(24)33-21/h4-12H,13-14H2,1-3H3,(H,25,26)
InChIKeyVCQBYDICCOARIN-UHFFFAOYSA-N
MW519.05 g/mol
LogP4.59
Rot. Bonds8

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

N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-N-methylacetamide (PubChem CID 70685474) has the molecular formula C23H23ClN4O4S2 and a molecular weight of 519.05 g/mol. Its IUPAC name is N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-N-methylacetamide
PubChem CID70685474
Molecular FormulaC23H23ClN4O4S2
Molecular Weight519.05 g/mol
Exact Mass518.08
IUPAC NameN-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-N-methylacetamide
SMILESCOc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CN(C)C(C)=O)c1
InChIInChI=1S/C23H23ClN4O4S2/c1-15(29)27(2)13-16-6-4-7-17(12-16)14-28-18-8-5-9-19(32-3)22(18)23(25-28)26-34(30,31)21-11-10-20(24)33-21/h4-12H,13-14H2,1-3H3,(H,25,26)
InChIKeyVCQBYDICCOARIN-UHFFFAOYSA-N
XLogP4.59
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.05
LogP ≤ 54.59
H-Bond Donors ≤ 51
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]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-N-methylacetamide?
The IUPAC name of N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-N-methylacetamide (CID 70685474) is N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-N-methylacetamide is COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CN(C)C(C)=O)c1.
What is the InChIKey of N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-N-methylacetamide?
The InChIKey is VCQBYDICCOARIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4S2/c1-15(29)27(2)13-16-6-4-7-17(12-16)14-28-18-8-5-9-19(32-3)22(18)23(25-28)26-34(30,31)21-11-10-20(24)33-21/h4-12H,13-14H2,1-3H3,(H,25,26).
What are the key properties of N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-N-methylacetamide?
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-N-methylacetamide has a molecular weight of 519.05 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 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]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 70685474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).