N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methyl-4-propylphenyl)thiophene-2-sulfonamide

C18H19BrN2O3S2 — CID 10366742

IUPACN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methyl-4-propylphenyl)thiophene-2-sulfonamide
SMILESCCCc1ccc(-c2ccsc2S(=O)(=O)Nc2onc(C)c2Br)c(C)c1
InChIInChI=1S/C18H19BrN2O3S2/c1-4-5-13-6-7-14(11(2)10-13)15-8-9-25-18(15)26(22,23)21-17-16(19)12(3)20-24-17/h6-10,21H,4-5H2,1-3H3
InChIKeyRQMRNWJRXJVROO-UHFFFAOYSA-N
MW455.40 g/mol
LogP5.54
Rot. Bonds6

About N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methyl-4-propylphenyl)thiophene-2-sulfonamide

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methyl-4-propylphenyl)thiophene-2-sulfonamide (PubChem CID 10366742) has the molecular formula C18H19BrN2O3S2 and a molecular weight of 455.40 g/mol. Its IUPAC name is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methyl-4-propylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methyl-4-propylphenyl)thiophene-2-sulfonamide
PubChem CID10366742
Molecular FormulaC18H19BrN2O3S2
Molecular Weight455.40 g/mol
Exact Mass454.00
IUPAC NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methyl-4-propylphenyl)thiophene-2-sulfonamide
SMILESCCCc1ccc(-c2ccsc2S(=O)(=O)Nc2onc(C)c2Br)c(C)c1
InChIInChI=1S/C18H19BrN2O3S2/c1-4-5-13-6-7-14(11(2)10-13)15-8-9-25-18(15)26(22,23)21-17-16(19)12(3)20-24-17/h6-10,21H,4-5H2,1-3H3
InChIKeyRQMRNWJRXJVROO-UHFFFAOYSA-N
XLogP5.54
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.40
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methyl-4-propylphenyl)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-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methyl-4-propylphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methyl-4-propylphenyl)thiophene-2-sulfonamide (CID 10366742) is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methyl-4-propylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methyl-4-propylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methyl-4-propylphenyl)thiophene-2-sulfonamide is CCCc1ccc(-c2ccsc2S(=O)(=O)Nc2onc(C)c2Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methyl-4-propylphenyl)thiophene-2-sulfonamide?
The InChIKey is RQMRNWJRXJVROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3S2/c1-4-5-13-6-7-14(11(2)10-13)15-8-9-25-18(15)26(22,23)21-17-16(19)12(3)20-24-17/h6-10,21H,4-5H2,1-3H3.
What are the key properties of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methyl-4-propylphenyl)thiophene-2-sulfonamide?
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methyl-4-propylphenyl)thiophene-2-sulfonamide has a molecular weight of 455.40 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methyl-4-propylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 10366742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).