N-(9-ethylcarbazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide

C21H18N4O3S — CID 60617944

IUPACN-(9-ethylcarbazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCCn1c2ccccc2c2cc(NS(=O)(=O)c3cnc4onc(C)c4c3)ccc21
InChIInChI=1S/C21H18N4O3S/c1-3-25-19-7-5-4-6-16(19)18-10-14(8-9-20(18)25)24-29(26,27)15-11-17-13(2)23-28-21(17)22-12-15/h4-12,24H,3H2,1-2H3
InChIKeyMMFGADGPDKKUTQ-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.46
Rot. Bonds4

About N-(9-ethylcarbazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide

N-(9-ethylcarbazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 60617944) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID60617944
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC NameN-(9-ethylcarbazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCCn1c2ccccc2c2cc(NS(=O)(=O)c3cnc4onc(C)c4c3)ccc21
InChIInChI=1S/C21H18N4O3S/c1-3-25-19-7-5-4-6-16(19)18-10-14(8-9-20(18)25)24-29(26,27)15-11-17-13(2)23-28-21(17)22-12-15/h4-12,24H,3H2,1-2H3
InChIKeyMMFGADGPDKKUTQ-UHFFFAOYSA-N
XLogP4.46
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(9-ethylcarbazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-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-(9-ethylcarbazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (CID 60617944) is N-(9-ethylcarbazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is CCn1c2ccccc2c2cc(NS(=O)(=O)c3cnc4onc(C)c4c3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is MMFGADGPDKKUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-3-25-19-7-5-4-6-16(19)18-10-14(8-9-20(18)25)24-29(26,27)15-11-17-13(2)23-28-21(17)22-12-15/h4-12,24H,3H2,1-2H3.
What are the key properties of N-(9-ethylcarbazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
N-(9-ethylcarbazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 406.47 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 60617944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).