N-[1-(benzenesulfonyl)indol-4-yl]-2-(2-hydroxyethylamino)acetamide

C18H19N3O4S — CID 11474245

IUPACN-[1-(benzenesulfonyl)indol-4-yl]-2-(2-hydroxyethylamino)acetamide
SMILESO=C(CNCCO)Nc1cccc2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19N3O4S/c22-12-10-19-13-18(23)20-16-7-4-8-17-15(16)9-11-21(17)26(24,25)14-5-2-1-3-6-14/h1-9,11,19,22H,10,12-13H2,(H,20,23)
InChIKeyIKUGSEZFKRRCDG-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.40
Rot. Bonds7

About N-[1-(benzenesulfonyl)indol-4-yl]-2-(2-hydroxyethylamino)acetamide

N-[1-(benzenesulfonyl)indol-4-yl]-2-(2-hydroxyethylamino)acetamide (PubChem CID 11474245) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)indol-4-yl]-2-(2-hydroxyethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)indol-4-yl]-2-(2-hydroxyethylamino)acetamide
PubChem CID11474245
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-[1-(benzenesulfonyl)indol-4-yl]-2-(2-hydroxyethylamino)acetamide
SMILESO=C(CNCCO)Nc1cccc2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19N3O4S/c22-12-10-19-13-18(23)20-16-7-4-8-17-15(16)9-11-21(17)26(24,25)14-5-2-1-3-6-14/h1-9,11,19,22H,10,12-13H2,(H,20,23)
InChIKeyIKUGSEZFKRRCDG-UHFFFAOYSA-N
XLogP1.40
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)indol-4-yl]-2-(2-hydroxyethylamino)acetamide?
The IUPAC name of N-[1-(benzenesulfonyl)indol-4-yl]-2-(2-hydroxyethylamino)acetamide (CID 11474245) is N-[1-(benzenesulfonyl)indol-4-yl]-2-(2-hydroxyethylamino)acetamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)indol-4-yl]-2-(2-hydroxyethylamino)acetamide?
The canonical SMILES for N-[1-(benzenesulfonyl)indol-4-yl]-2-(2-hydroxyethylamino)acetamide is O=C(CNCCO)Nc1cccc2c1ccn2S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[1-(benzenesulfonyl)indol-4-yl]-2-(2-hydroxyethylamino)acetamide?
The InChIKey is IKUGSEZFKRRCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c22-12-10-19-13-18(23)20-16-7-4-8-17-15(16)9-11-21(17)26(24,25)14-5-2-1-3-6-14/h1-9,11,19,22H,10,12-13H2,(H,20,23).
What are the key properties of N-[1-(benzenesulfonyl)indol-4-yl]-2-(2-hydroxyethylamino)acetamide?
N-[1-(benzenesulfonyl)indol-4-yl]-2-(2-hydroxyethylamino)acetamide has a molecular weight of 373.43 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)indol-4-yl]-2-(2-hydroxyethylamino)acetamide is sourced from PubChem (CID 11474245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).