N-[4-cyclopropyloxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-2,4,6-trimethoxybenzenesulfonamide

C23H24N4O7S — CID 155423045

IUPACN-[4-cyclopropyloxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-2,4,6-trimethoxybenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)Nc2noc3cc(Cn4cccn4)cc(OC4CC4)c23)c(OC)c1
InChIInChI=1S/C23H24N4O7S/c1-30-16-11-19(31-2)22(20(12-16)32-3)35(28,29)26-23-21-17(33-15-5-6-15)9-14(10-18(21)34-25-23)13-27-8-4-7-24-27/h4,7-12,15H,5-6,13H2,1-3H3,(H,25,26)
InChIKeyPCIFTMBUOYWORQ-UHFFFAOYSA-N
MW500.53 g/mol
LogP3.44
Rot. Bonds10

About N-[4-cyclopropyloxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-2,4,6-trimethoxybenzenesulfonamide

N-[4-cyclopropyloxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-2,4,6-trimethoxybenzenesulfonamide (PubChem CID 155423045) has the molecular formula C23H24N4O7S and a molecular weight of 500.53 g/mol. Its IUPAC name is N-[4-cyclopropyloxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-2,4,6-trimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-cyclopropyloxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-2,4,6-trimethoxybenzenesulfonamide
PubChem CID155423045
Molecular FormulaC23H24N4O7S
Molecular Weight500.53 g/mol
Exact Mass500.14
IUPAC NameN-[4-cyclopropyloxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-2,4,6-trimethoxybenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)Nc2noc3cc(Cn4cccn4)cc(OC4CC4)c23)c(OC)c1
InChIInChI=1S/C23H24N4O7S/c1-30-16-11-19(31-2)22(20(12-16)32-3)35(28,29)26-23-21-17(33-15-5-6-15)9-14(10-18(21)34-25-23)13-27-8-4-7-24-27/h4,7-12,15H,5-6,13H2,1-3H3,(H,25,26)
InChIKeyPCIFTMBUOYWORQ-UHFFFAOYSA-N
XLogP3.44
TPSA126.94 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[4-cyclopropyloxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-2,4,6-trimethoxybenzenesulfonamide 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-[4-cyclopropyloxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-2,4,6-trimethoxybenzenesulfonamide?
The IUPAC name of N-[4-cyclopropyloxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-2,4,6-trimethoxybenzenesulfonamide (CID 155423045) is N-[4-cyclopropyloxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-2,4,6-trimethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-cyclopropyloxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-2,4,6-trimethoxybenzenesulfonamide?
The canonical SMILES for N-[4-cyclopropyloxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-2,4,6-trimethoxybenzenesulfonamide is COc1cc(OC)c(S(=O)(=O)Nc2noc3cc(Cn4cccn4)cc(OC4CC4)c23)c(OC)c1.
What is the InChIKey of N-[4-cyclopropyloxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-2,4,6-trimethoxybenzenesulfonamide?
The InChIKey is PCIFTMBUOYWORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O7S/c1-30-16-11-19(31-2)22(20(12-16)32-3)35(28,29)26-23-21-17(33-15-5-6-15)9-14(10-18(21)34-25-23)13-27-8-4-7-24-27/h4,7-12,15H,5-6,13H2,1-3H3,(H,25,26).
What are the key properties of N-[4-cyclopropyloxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-2,4,6-trimethoxybenzenesulfonamide?
N-[4-cyclopropyloxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-2,4,6-trimethoxybenzenesulfonamide has a molecular weight of 500.53 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopropyloxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-2,4,6-trimethoxybenzenesulfonamide is sourced from PubChem (CID 155423045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).