N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide

C25H19ClN4O5S3 — CID 25039550

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3oc(SCC(=O)Nc4nc(-c5ccccc5Cl)cs4)nc3c2)cc1
InChIInChI=1S/C25H19ClN4O5S3/c1-34-16-8-6-15(7-9-16)30-38(32,33)17-10-11-22-20(12-17)28-25(35-22)37-14-23(31)29-24-27-21(13-36-24)18-4-2-3-5-19(18)26/h2-13,30H,14H2,1H3,(H,27,29,31)
InChIKeyLZUKLPLQMYNDGX-UHFFFAOYSA-N
MW587.10 g/mol
LogP6.14
Rot. Bonds9

About N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide (PubChem CID 25039550) has the molecular formula C25H19ClN4O5S3 and a molecular weight of 587.10 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
PubChem CID25039550
Molecular FormulaC25H19ClN4O5S3
Molecular Weight587.10 g/mol
Exact Mass586.02
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3oc(SCC(=O)Nc4nc(-c5ccccc5Cl)cs4)nc3c2)cc1
InChIInChI=1S/C25H19ClN4O5S3/c1-34-16-8-6-15(7-9-16)30-38(32,33)17-10-11-22-20(12-17)28-25(35-22)37-14-23(31)29-24-27-21(13-36-24)18-4-2-3-5-19(18)26/h2-13,30H,14H2,1H3,(H,27,29,31)
InChIKeyLZUKLPLQMYNDGX-UHFFFAOYSA-N
XLogP6.14
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.10
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 25038704
N-(2-cyanophenyl)-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 25040638
2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 2347049
N-[2-(2,4-dichlorophenyl)ethyl]-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 25047916
2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
CID 25044659
N-cyclopropyl-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 25048536
N-(2-methoxy-5-methylphenyl)-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 25043575
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 25040601
dimethyl 2-[[2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate
CID 25047387
2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 25036274
2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 2369682
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19727839

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide (CID 25039550) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide is COc1ccc(NS(=O)(=O)c2ccc3oc(SCC(=O)Nc4nc(-c5ccccc5Cl)cs4)nc3c2)cc1.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide?
The InChIKey is LZUKLPLQMYNDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O5S3/c1-34-16-8-6-15(7-9-16)30-38(32,33)17-10-11-22-20(12-17)28-25(35-22)37-14-23(31)29-24-27-21(13-36-24)18-4-2-3-5-19(18)26/h2-13,30H,14H2,1H3,(H,27,29,31).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide has a molecular weight of 587.10 g/mol, XLogP of 6.14, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 25039550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).