3,5-dimethyl-N-[7-(4-methyl-1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,2-oxazole-4-sulfonamide

C21H18N4O3S2 — CID 143557279

IUPAC3,5-dimethyl-N-[7-(4-methyl-1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cc(-c2cc3c(C)cccc3s2)c2[nH]ncc2c1
InChIInChI=1S/C21H18N4O3S2/c1-11-5-4-6-18-16(11)9-19(29-18)17-8-15(7-14-10-22-23-20(14)17)25-30(26,27)21-12(2)24-28-13(21)3/h4-10,25H,1-3H3,(H,22,23)
InChIKeyAYIFLCYEMUVBCX-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.16
Rot. Bonds4

About 3,5-dimethyl-N-[7-(4-methyl-1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[7-(4-methyl-1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,2-oxazole-4-sulfonamide (PubChem CID 143557279) has the molecular formula C21H18N4O3S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 3,5-dimethyl-N-[7-(4-methyl-1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[7-(4-methyl-1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,2-oxazole-4-sulfonamide
PubChem CID143557279
Molecular FormulaC21H18N4O3S2
Molecular Weight438.53 g/mol
Exact Mass438.08
IUPAC Name3,5-dimethyl-N-[7-(4-methyl-1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cc(-c2cc3c(C)cccc3s2)c2[nH]ncc2c1
InChIInChI=1S/C21H18N4O3S2/c1-11-5-4-6-18-16(11)9-19(29-18)17-8-15(7-14-10-22-23-20(14)17)25-30(26,27)21-12(2)24-28-13(21)3/h4-10,25H,1-3H3,(H,22,23)
InChIKeyAYIFLCYEMUVBCX-UHFFFAOYSA-N
XLogP5.16
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-N-[7-(4-methyl-1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,2-oxazole-4-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 3,5-dimethyl-N-[7-(4-methyl-1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[7-(4-methyl-1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,2-oxazole-4-sulfonamide (CID 143557279) is 3,5-dimethyl-N-[7-(4-methyl-1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[7-(4-methyl-1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[7-(4-methyl-1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1cc(-c2cc3c(C)cccc3s2)c2[nH]ncc2c1.
What is the InChIKey of 3,5-dimethyl-N-[7-(4-methyl-1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,2-oxazole-4-sulfonamide?
The InChIKey is AYIFLCYEMUVBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S2/c1-11-5-4-6-18-16(11)9-19(29-18)17-8-15(7-14-10-22-23-20(14)17)25-30(26,27)21-12(2)24-28-13(21)3/h4-10,25H,1-3H3,(H,22,23).
What are the key properties of 3,5-dimethyl-N-[7-(4-methyl-1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[7-(4-methyl-1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,2-oxazole-4-sulfonamide has a molecular weight of 438.53 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[7-(4-methyl-1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 143557279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).