N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-3-(3-methylindazol-1-yl)propanamide

C21H26N4O4S — CID 91954228

IUPACN-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-3-(3-methylindazol-1-yl)propanamide
SMILESCOCCNS(=O)(=O)Cc1cccc(NC(=O)CCn2nc(C)c3ccccc32)c1
InChIInChI=1S/C21H26N4O4S/c1-16-19-8-3-4-9-20(19)25(24-16)12-10-21(26)23-18-7-5-6-17(14-18)15-30(27,28)22-11-13-29-2/h3-9,14,22H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyHLPCHUYZDMMEAU-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.44
Rot. Bonds10

About N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-3-(3-methylindazol-1-yl)propanamide

N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-3-(3-methylindazol-1-yl)propanamide (PubChem CID 91954228) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-3-(3-methylindazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-3-(3-methylindazol-1-yl)propanamide
PubChem CID91954228
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC NameN-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-3-(3-methylindazol-1-yl)propanamide
SMILESCOCCNS(=O)(=O)Cc1cccc(NC(=O)CCn2nc(C)c3ccccc32)c1
InChIInChI=1S/C21H26N4O4S/c1-16-19-8-3-4-9-20(19)25(24-16)12-10-21(26)23-18-7-5-6-17(14-18)15-30(27,28)22-11-13-29-2/h3-9,14,22H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyHLPCHUYZDMMEAU-UHFFFAOYSA-N
XLogP2.44
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-1,2,3-trimethylindole-5-carboxamide
CID 91954211
3-(4-chloroindazol-1-yl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]propanamide
CID 91954178
2-[2-(azepan-1-yl)-2-oxoethoxy]-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide
CID 91954242
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide
CID 91954220
2-(1,3-benzodioxol-5-yloxy)-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide
CID 91954213
N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]oxolane-2-carboxamide
CID 91954252
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(3-methylindazol-1-yl)propanamide
CID 95744353
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 19559927
2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119753968
N-[3-(methoxymethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 32639084
N-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide
CID 78986765

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-3-(3-methylindazol-1-yl)propanamide?
The IUPAC name of N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-3-(3-methylindazol-1-yl)propanamide (CID 91954228) is N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-3-(3-methylindazol-1-yl)propanamide.
What is the SMILES notation for N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-3-(3-methylindazol-1-yl)propanamide?
The canonical SMILES for N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-3-(3-methylindazol-1-yl)propanamide is COCCNS(=O)(=O)Cc1cccc(NC(=O)CCn2nc(C)c3ccccc32)c1.
What is the InChIKey of N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-3-(3-methylindazol-1-yl)propanamide?
The InChIKey is HLPCHUYZDMMEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-16-19-8-3-4-9-20(19)25(24-16)12-10-21(26)23-18-7-5-6-17(14-18)15-30(27,28)22-11-13-29-2/h3-9,14,22H,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-3-(3-methylindazol-1-yl)propanamide?
N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-3-(3-methylindazol-1-yl)propanamide has a molecular weight of 430.53 g/mol, XLogP of 2.44, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-3-(3-methylindazol-1-yl)propanamide is sourced from PubChem (CID 91954228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).