N-[3-chloro-4-(methanesulfonamido)phenyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide

C20H20ClN3O5S2 — CID 46585029

IUPACN-[3-chloro-4-(methanesulfonamido)phenyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)Nc3ccc(NS(C)(=O)=O)c(Cl)c3)cs2)cc1OC
InChIInChI=1S/C20H20ClN3O5S2/c1-28-17-7-4-12(8-18(17)29-2)20-23-14(11-30-20)10-19(25)22-13-5-6-16(15(21)9-13)24-31(3,26)27/h4-9,11,24H,10H2,1-3H3,(H,22,25)
InChIKeyVMJBPARVKRTVDJ-UHFFFAOYSA-N
MW481.98 g/mol
LogP4.03
Rot. Bonds8

About N-[3-chloro-4-(methanesulfonamido)phenyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide

N-[3-chloro-4-(methanesulfonamido)phenyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 46585029) has the molecular formula C20H20ClN3O5S2 and a molecular weight of 481.98 g/mol. Its IUPAC name is N-[3-chloro-4-(methanesulfonamido)phenyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(methanesulfonamido)phenyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID46585029
Molecular FormulaC20H20ClN3O5S2
Molecular Weight481.98 g/mol
Exact Mass481.05
IUPAC NameN-[3-chloro-4-(methanesulfonamido)phenyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)Nc3ccc(NS(C)(=O)=O)c(Cl)c3)cs2)cc1OC
InChIInChI=1S/C20H20ClN3O5S2/c1-28-17-7-4-12(8-18(17)29-2)20-23-14(11-30-20)10-19(25)22-13-5-6-16(15(21)9-13)24-31(3,26)27/h4-9,11,24H,10H2,1-3H3,(H,22,25)
InChIKeyVMJBPARVKRTVDJ-UHFFFAOYSA-N
XLogP4.03
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.98
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 7900431
N-(1,3-benzodioxol-5-yl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 7944782
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585965
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 4823927
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55407689
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 8001192
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-nitrophenyl)acetamide
CID 51180014
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 46807153
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylsulfamoyl)phenyl]acetamide
CID 55984591
2-chloro-4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 39170378
N-(3-acetamido-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 37081428
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 29282406

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(methanesulfonamido)phenyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[3-chloro-4-(methanesulfonamido)phenyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide (CID 46585029) is N-[3-chloro-4-(methanesulfonamido)phenyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[3-chloro-4-(methanesulfonamido)phenyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[3-chloro-4-(methanesulfonamido)phenyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide is COc1ccc(-c2nc(CC(=O)Nc3ccc(NS(C)(=O)=O)c(Cl)c3)cs2)cc1OC.
What is the InChIKey of N-[3-chloro-4-(methanesulfonamido)phenyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is VMJBPARVKRTVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O5S2/c1-28-17-7-4-12(8-18(17)29-2)20-23-14(11-30-20)10-19(25)22-13-5-6-16(15(21)9-13)24-31(3,26)27/h4-9,11,24H,10H2,1-3H3,(H,22,25).
What are the key properties of N-[3-chloro-4-(methanesulfonamido)phenyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
N-[3-chloro-4-(methanesulfonamido)phenyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 481.98 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(methanesulfonamido)phenyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 46585029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).