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

C20H23N3O3S — CID 2572756

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H23N3O3S/c1-15-7-9-17(10-8-15)27(25,26)23(2)14-20(24)21-12-11-16-13-22-19-6-4-3-5-18(16)19/h3-10,13,22H,11-12,14H2,1-2H3,(H,21,24)
InChIKeyRBYAXCIZMBRDIC-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.46
Rot. Bonds7

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

N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 2572756) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID2572756
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H23N3O3S/c1-15-7-9-17(10-8-15)27(25,26)23(2)14-20(24)21-12-11-16-13-22-19-6-4-3-5-18(16)19/h3-10,13,22H,11-12,14H2,1-2H3,(H,21,24)
InChIKeyRBYAXCIZMBRDIC-UHFFFAOYSA-N
XLogP2.46
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 2572756) is N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is RBYAXCIZMBRDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-15-7-9-17(10-8-15)27(25,26)23(2)14-20(24)21-12-11-16-13-22-19-6-4-3-5-18(16)19/h3-10,13,22H,11-12,14H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 385.49 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 2572756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).