N-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylsulfamoyl]phenyl]acetamide

C20H21N3O3S2 — CID 108780119

IUPACN-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1
InChIInChI=1S/C20H21N3O3S2/c1-14(24)22-18-7-9-19(10-8-18)28(25,26)21-12-11-16-3-5-17(6-4-16)20-13-27-15(2)23-20/h3-10,13,21H,11-12H2,1-2H3,(H,22,24)
InChIKeyFLALWAASSUKJON-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.60
Rot. Bonds7

About N-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylsulfamoyl]phenyl]acetamide

N-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylsulfamoyl]phenyl]acetamide (PubChem CID 108780119) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylsulfamoyl]phenyl]acetamide
PubChem CID108780119
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC NameN-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1
InChIInChI=1S/C20H21N3O3S2/c1-14(24)22-18-7-9-19(10-8-18)28(25,26)21-12-11-16-3-5-17(6-4-16)20-13-27-15(2)23-20/h3-10,13,21H,11-12H2,1-2H3,(H,22,24)
InChIKeyFLALWAASSUKJON-UHFFFAOYSA-N
XLogP3.60
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylsulfamoyl]phenyl]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-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide
CID 108780120
N-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]acetamide
CID 3243012
3-[4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate
CID 8841474
5-(ethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167610
4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
N-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 24603193
2-[4-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]phenyl]acetamide
CID 31862065
2-(2-methyl-1,3-thiazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 134063109
N-methyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 134350753
3-(ethylsulfamoyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167522
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55569595
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 47121427

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylsulfamoyl]phenyl]acetamide (CID 108780119) is N-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1.
What is the InChIKey of N-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylsulfamoyl]phenyl]acetamide?
The InChIKey is FLALWAASSUKJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c1-14(24)22-18-7-9-19(10-8-18)28(25,26)21-12-11-16-3-5-17(6-4-16)20-13-27-15(2)23-20/h3-10,13,21H,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylsulfamoyl]phenyl]acetamide?
N-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylsulfamoyl]phenyl]acetamide has a molecular weight of 415.54 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 108780119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).