N-[2-(1H-indol-3-yl)ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide

C21H25N3O4S — CID 27645841

IUPACN-[2-(1H-indol-3-yl)ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H25N3O4S/c1-15-7-8-17(29(26,27)24-11-12-28-2)13-19(15)21(25)22-10-9-16-14-23-20-6-4-3-5-18(16)20/h3-8,13-14,23-24H,9-12H2,1-2H3,(H,22,25)
InChIKeyMVUBTLGYHIYBCV-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.37
Rot. Bonds9

About N-[2-(1H-indol-3-yl)ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide

N-[2-(1H-indol-3-yl)ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide (PubChem CID 27645841) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
PubChem CID27645841
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H25N3O4S/c1-15-7-8-17(29(26,27)24-11-12-28-2)13-19(15)21(25)22-10-9-16-14-23-20-6-4-3-5-18(16)20/h3-8,13-14,23-24H,9-12H2,1-2H3,(H,22,25)
InChIKeyMVUBTLGYHIYBCV-UHFFFAOYSA-N
XLogP2.37
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 113083568
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717
N-[2-(1H-indol-3-yl)ethyl]-2-methoxy-5-methylbenzamide
CID 17433152
N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 43002878
N-[2-(1H-indol-3-yl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 27009969
N-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
CID 109062575
N-[2-(1H-indol-3-yl)ethyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763695
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609
N-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766157
3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 27644763
2-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 29239688

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide (CID 27645841) is N-[2-(1H-indol-3-yl)ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide is COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The InChIKey is MVUBTLGYHIYBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-15-7-8-17(29(26,27)24-11-12-28-2)13-19(15)21(25)22-10-9-16-14-23-20-6-4-3-5-18(16)20/h3-8,13-14,23-24H,9-12H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
N-[2-(1H-indol-3-yl)ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide has a molecular weight of 415.52 g/mol, XLogP of 2.37, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 27645841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).