2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide

C24H21N3O4S2 — CID 16665833

IUPAC2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc(-c3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2)c1
InChIInChI=1S/C24H21N3O4S2/c1-31-21-4-2-3-17(15-21)16-23(28)26-20-9-5-18(6-10-20)19-7-11-22(12-8-19)33(29,30)27-24-25-13-14-32-24/h2-15H,16H2,1H3,(H,25,27)(H,26,28)
InChIKeyMWUHDPBVPMRGIG-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.80
Rot. Bonds8

About 2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide

2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide (PubChem CID 16665833) has the molecular formula C24H21N3O4S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide
PubChem CID16665833
Molecular FormulaC24H21N3O4S2
Molecular Weight479.58 g/mol
Exact Mass479.10
IUPAC Name2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc(-c3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2)c1
InChIInChI=1S/C24H21N3O4S2/c1-31-21-4-2-3-17(15-21)16-23(28)26-20-9-5-18(6-10-20)19-7-11-22(12-8-19)33(29,30)27-24-25-13-14-32-24/h2-15H,16H2,1H3,(H,25,27)(H,26,28)
InChIKeyMWUHDPBVPMRGIG-UHFFFAOYSA-N
XLogP4.80
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 8961470
2-(3-methoxyphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 43910258
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 121051792
2-(3-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 2135518
2-(4-phenylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 4511693
4-(4-methoxyphenyl)-4-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 108796477
4-(4-aminophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-(3-chlorophenoxy)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide
CID 159612874
N-[1-[(3-methoxyphenyl)methyl]cyclopropyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486974
2-(3-methoxyphenyl)-N-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110778748
2-(4-methoxyphenoxy)-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]acetamide
CID 5171518
3,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 17368902
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 25048506

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide (CID 16665833) is 2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide is COc1cccc(CC(=O)Nc2ccc(-c3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide?
The InChIKey is MWUHDPBVPMRGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S2/c1-31-21-4-2-3-17(15-21)16-23(28)26-20-9-5-18(6-10-20)19-7-11-22(12-8-19)33(29,30)27-24-25-13-14-32-24/h2-15H,16H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide?
2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide has a molecular weight of 479.58 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide is sourced from PubChem (CID 16665833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).