N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-1,2,3-trimethylindole-5-carboxamide

C22H27N3O4S — CID 91954211

IUPACN-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-1,2,3-trimethylindole-5-carboxamide
SMILESCOCCNS(=O)(=O)Cc1cccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3C)c1
InChIInChI=1S/C22H27N3O4S/c1-15-16(2)25(3)21-9-8-18(13-20(15)21)22(26)24-19-7-5-6-17(12-19)14-30(27,28)23-10-11-29-4/h5-9,12-13,23H,10-11,14H2,1-4H3,(H,24,26)
InChIKeyXBLPXWQGTVJWCK-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.11
Rot. Bonds8

About N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-1,2,3-trimethylindole-5-carboxamide

N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-1,2,3-trimethylindole-5-carboxamide (PubChem CID 91954211) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-1,2,3-trimethylindole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-1,2,3-trimethylindole-5-carboxamide
PubChem CID91954211
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-1,2,3-trimethylindole-5-carboxamide
SMILESCOCCNS(=O)(=O)Cc1cccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3C)c1
InChIInChI=1S/C22H27N3O4S/c1-15-16(2)25(3)21-9-8-18(13-20(15)21)22(26)24-19-7-5-6-17(12-19)14-30(27,28)23-10-11-29-4/h5-9,12-13,23H,10-11,14H2,1-4H3,(H,24,26)
InChIKeyXBLPXWQGTVJWCK-UHFFFAOYSA-N
XLogP3.11
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-3-(3-methylindazol-1-yl)propanamide
CID 91954228
N-(4-acetylphenyl)-1,2,3-trimethylindole-5-carboxamide
CID 5128643
1,2,3-trimethyl-N-(4-sulfamoylphenyl)indole-5-carboxamide
CID 35328187
N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]oxolane-2-carboxamide
CID 91954252
methyl 2-[(1,2,3-trimethylindole-5-carbonyl)amino]benzoate
CID 1225688
2-[2-(azepan-1-yl)-2-oxoethoxy]-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide
CID 91954242
4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 35437620
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide
CID 91954220
N-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide
CID 33099883
N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 32638426
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
2-(1,3-benzodioxol-5-yloxy)-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide
CID 91954213

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-1,2,3-trimethylindole-5-carboxamide?
The IUPAC name of N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-1,2,3-trimethylindole-5-carboxamide (CID 91954211) is N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-1,2,3-trimethylindole-5-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-1,2,3-trimethylindole-5-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-1,2,3-trimethylindole-5-carboxamide is COCCNS(=O)(=O)Cc1cccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3C)c1.
What is the InChIKey of N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-1,2,3-trimethylindole-5-carboxamide?
The InChIKey is XBLPXWQGTVJWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-15-16(2)25(3)21-9-8-18(13-20(15)21)22(26)24-19-7-5-6-17(12-19)14-30(27,28)23-10-11-29-4/h5-9,12-13,23H,10-11,14H2,1-4H3,(H,24,26).
What are the key properties of N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-1,2,3-trimethylindole-5-carboxamide?
N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-1,2,3-trimethylindole-5-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-1,2,3-trimethylindole-5-carboxamide is sourced from PubChem (CID 91954211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).