N-(2-ethoxyethyl)-N-[2-[5-[(3-methylsulfonylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide

C25H32N4O5S4 — CID 70860879

IUPACN-(2-ethoxyethyl)-N-[2-[5-[(3-methylsulfonylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESCCOCCN(c1cccc2c1NC(c1ncc(CN3CCC(S(C)(=O)=O)C3)s1)C2)S(=O)(=O)c1cccs1
InChIInChI=1S/C25H32N4O5S4/c1-3-34-12-11-29(38(32,33)23-8-5-13-35-23)22-7-4-6-18-14-21(27-24(18)22)25-26-15-19(36-25)16-28-10-9-20(17-28)37(2,30)31/h4-8,13,15,20-21,27H,3,9-12,14,16-17H2,1-2H3
InChIKeyFTGLRVQFTOFMKH-UHFFFAOYSA-N
MW596.82 g/mol
LogP3.76
Rot. Bonds11

About N-(2-ethoxyethyl)-N-[2-[5-[(3-methylsulfonylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide

N-(2-ethoxyethyl)-N-[2-[5-[(3-methylsulfonylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide (PubChem CID 70860879) has the molecular formula C25H32N4O5S4 and a molecular weight of 596.82 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-[2-[5-[(3-methylsulfonylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-[2-[5-[(3-methylsulfonylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
PubChem CID70860879
Molecular FormulaC25H32N4O5S4
Molecular Weight596.82 g/mol
Exact Mass596.13
IUPAC NameN-(2-ethoxyethyl)-N-[2-[5-[(3-methylsulfonylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESCCOCCN(c1cccc2c1NC(c1ncc(CN3CCC(S(C)(=O)=O)C3)s1)C2)S(=O)(=O)c1cccs1
InChIInChI=1S/C25H32N4O5S4/c1-3-34-12-11-29(38(32,33)23-8-5-13-35-23)22-7-4-6-18-14-21(27-24(18)22)25-26-15-19(36-25)16-28-10-9-20(17-28)37(2,30)31/h4-8,13,15,20-21,27H,3,9-12,14,16-17H2,1-2H3
InChIKeyFTGLRVQFTOFMKH-UHFFFAOYSA-N
XLogP3.76
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.82
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-(2-ethoxyethyl)-N-[2-[5-[(3-methylsulfonylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide 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-ethoxyethyl)-N-[2-[5-[(3-methylsulfonylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-N-[2-[5-[(3-methylsulfonylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide (CID 70860879) is N-(2-ethoxyethyl)-N-[2-[5-[(3-methylsulfonylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-[2-[5-[(3-methylsulfonylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-[2-[5-[(3-methylsulfonylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide is CCOCCN(c1cccc2c1NC(c1ncc(CN3CCC(S(C)(=O)=O)C3)s1)C2)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-ethoxyethyl)-N-[2-[5-[(3-methylsulfonylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide?
The InChIKey is FTGLRVQFTOFMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O5S4/c1-3-34-12-11-29(38(32,33)23-8-5-13-35-23)22-7-4-6-18-14-21(27-24(18)22)25-26-15-19(36-25)16-28-10-9-20(17-28)37(2,30)31/h4-8,13,15,20-21,27H,3,9-12,14,16-17H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-N-[2-[5-[(3-methylsulfonylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide?
N-(2-ethoxyethyl)-N-[2-[5-[(3-methylsulfonylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide has a molecular weight of 596.82 g/mol, XLogP of 3.76, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-[2-[5-[(3-methylsulfonylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 70860879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).