2-[4-(methanesulfonamido)indol-1-yl]-N-(2-methoxyethyl)acetamide

C14H19N3O4S — CID 86206980

IUPAC2-[4-(methanesulfonamido)indol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1ccc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C14H19N3O4S/c1-21-9-7-15-14(18)10-17-8-6-11-12(16-22(2,19)20)4-3-5-13(11)17/h3-6,8,16H,7,9-10H2,1-2H3,(H,15,18)
InChIKeyDDJKHYIBAGUCFG-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.78
Rot. Bonds7

About 2-[4-(methanesulfonamido)indol-1-yl]-N-(2-methoxyethyl)acetamide

2-[4-(methanesulfonamido)indol-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 86206980) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[4-(methanesulfonamido)indol-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(methanesulfonamido)indol-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID86206980
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name2-[4-(methanesulfonamido)indol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1ccc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C14H19N3O4S/c1-21-9-7-15-14(18)10-17-8-6-11-12(16-22(2,19)20)4-3-5-13(11)17/h3-6,8,16H,7,9-10H2,1-2H3,(H,15,18)
InChIKeyDDJKHYIBAGUCFG-UHFFFAOYSA-N
XLogP0.78
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(methanesulfonamido)indol-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 86207509
N-(2-methoxyethyl)-2-(4-propan-2-yloxyindol-1-yl)acetamide
CID 83165472
2-(4-methoxyindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 83173338
N-(1,1-dioxothiolan-3-yl)-2-[4-(methanesulfonamido)indol-1-yl]acetamide
CID 86207176
2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide
CID 56763638
2-[4-(methanesulfonamido)indol-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 91638913
N-(2-methoxyethyl)-2-(7-methoxyindol-1-yl)acetamide
CID 39315359
2-[4-(methanesulfonamido)indol-1-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 126418283
N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide
CID 116620292
2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 102913025
2-(4-acetamidoindol-1-yl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 86207362
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methanesulfonamido)indol-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(methanesulfonamido)indol-1-yl]-N-(2-methoxyethyl)acetamide (CID 86206980) is 2-[4-(methanesulfonamido)indol-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(methanesulfonamido)indol-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(methanesulfonamido)indol-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1ccc2c(NS(C)(=O)=O)cccc21.
What is the InChIKey of 2-[4-(methanesulfonamido)indol-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is DDJKHYIBAGUCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-21-9-7-15-14(18)10-17-8-6-11-12(16-22(2,19)20)4-3-5-13(11)17/h3-6,8,16H,7,9-10H2,1-2H3,(H,15,18).
What are the key properties of 2-[4-(methanesulfonamido)indol-1-yl]-N-(2-methoxyethyl)acetamide?
2-[4-(methanesulfonamido)indol-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 325.39 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methanesulfonamido)indol-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 86206980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).