N-[5-(fluoromethoxy)-2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide

C19H20FN3O4S3 — CID 70888546

IUPACN-[5-(fluoromethoxy)-2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
SMILESCN(c1cc(OCF)cc2cc(C3=NCC(CCO)S3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H20FN3O4S3/c1-23(30(25,26)17-3-2-6-28-17)16-9-13(27-11-20)7-12-8-15(22-18(12)16)19-21-10-14(29-19)4-5-24/h2-3,6-9,14,22,24H,4-5,10-11H2,1H3
InChIKeyBBRMVOOQBCKTQJ-UHFFFAOYSA-N
MW469.59 g/mol
LogP3.60
Rot. Bonds8

About N-[5-(fluoromethoxy)-2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide

N-[5-(fluoromethoxy)-2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide (PubChem CID 70888546) has the molecular formula C19H20FN3O4S3 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[5-(fluoromethoxy)-2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(fluoromethoxy)-2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
PubChem CID70888546
Molecular FormulaC19H20FN3O4S3
Molecular Weight469.59 g/mol
Exact Mass469.06
IUPAC NameN-[5-(fluoromethoxy)-2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
SMILESCN(c1cc(OCF)cc2cc(C3=NCC(CCO)S3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H20FN3O4S3/c1-23(30(25,26)17-3-2-6-28-17)16-9-13(27-11-20)7-12-8-15(22-18(12)16)19-21-10-14(29-19)4-5-24/h2-3,6-9,14,22,24H,4-5,10-11H2,1H3
InChIKeyBBRMVOOQBCKTQJ-UHFFFAOYSA-N
XLogP3.60
TPSA94.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-(fluoromethoxy)-2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-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-[5-(fluoromethoxy)-2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[5-(fluoromethoxy)-2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide (CID 70888546) is N-[5-(fluoromethoxy)-2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[5-(fluoromethoxy)-2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[5-(fluoromethoxy)-2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide is CN(c1cc(OCF)cc2cc(C3=NCC(CCO)S3)[nH]c12)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[5-(fluoromethoxy)-2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
The InChIKey is BBRMVOOQBCKTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4S3/c1-23(30(25,26)17-3-2-6-28-17)16-9-13(27-11-20)7-12-8-15(22-18(12)16)19-21-10-14(29-19)4-5-24/h2-3,6-9,14,22,24H,4-5,10-11H2,1H3.
What are the key properties of N-[5-(fluoromethoxy)-2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
N-[5-(fluoromethoxy)-2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide has a molecular weight of 469.59 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(fluoromethoxy)-2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 70888546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).