2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[1-(4-sulfamoylphenyl)ethyl]acetamide

C19H19N3O4S — CID 43070112

IUPAC2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H19N3O4S/c1-11(13-7-9-14(10-8-13)27(20,25)26)22-19(24)18(23)17-12(2)21-16-6-4-3-5-15(16)17/h3-11,21H,1-2H3,(H,22,24)(H2,20,25,26)
InChIKeyQEOADFWBEKCLAI-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.18
Rot. Bonds5

About 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[1-(4-sulfamoylphenyl)ethyl]acetamide

2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[1-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 43070112) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[1-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID43070112
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H19N3O4S/c1-11(13-7-9-14(10-8-13)27(20,25)26)22-19(24)18(23)17-12(2)21-16-6-4-3-5-15(16)17/h3-11,21H,1-2H3,(H,22,24)(H2,20,25,26)
InChIKeyQEOADFWBEKCLAI-UHFFFAOYSA-N
XLogP2.18
TPSA122.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 94825273
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 94825272
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 51096099
3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4794791
2-(2-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide
CID 7117468
2-(4-sulfamoylphenoxy)ethyl 2-methyl-1H-indole-3-carboxylate
CID 35193490
N'-[1-(4-ethylphenyl)ethyl]-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108510962
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-1H-indole-3-carboxylate
CID 35192559
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 94136572
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-chloro-5-sulfamoylbenzoate
CID 42983756
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[1-(4-sulfamoylphenyl)ethyl]acetamide (CID 43070112) is 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[1-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[1-(4-sulfamoylphenyl)ethyl]acetamide is Cc1[nH]c2ccccc2c1C(=O)C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is QEOADFWBEKCLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-11(13-7-9-14(10-8-13)27(20,25)26)22-19(24)18(23)17-12(2)21-16-6-4-3-5-15(16)17/h3-11,21H,1-2H3,(H,22,24)(H2,20,25,26).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[1-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 385.45 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[1-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 43070112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).