N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenyl)acetamide

C21H23N3O4S2 — CID 55661935

IUPACN-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)cc1
InChIInChI=1S/C21H23N3O4S2/c1-4-28-17-9-5-15(6-10-17)13-20(25)23-21-22-19(14-29-21)16-7-11-18(12-8-16)30(26,27)24(2)3/h5-12,14H,4,13H2,1-3H3,(H,22,23,25)
InChIKeyKJMADRPKCLVUHI-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.64
Rot. Bonds8

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

N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenyl)acetamide (PubChem CID 55661935) has the molecular formula C21H23N3O4S2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenyl)acetamide
PubChem CID55661935
Molecular FormulaC21H23N3O4S2
Molecular Weight445.57 g/mol
Exact Mass445.11
IUPAC NameN-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)cc1
InChIInChI=1S/C21H23N3O4S2/c1-4-28-17-9-5-15(6-10-17)13-20(25)23-21-22-19(14-29-21)16-7-11-18(12-8-16)30(26,27)24(2)3/h5-12,14H,4,13H2,1-3H3,(H,22,23,25)
InChIKeyKJMADRPKCLVUHI-UHFFFAOYSA-N
XLogP3.64
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 17012865
2-(4-ethoxyphenyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide
CID 24568286
2-[4-(dimethylsulfamoyl)phenyl]-N-(4-ethoxyphenyl)acetamide
CID 110674552
2-(2-chlorophenyl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 55661964
3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19226097
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 55893493
2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 3414920
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8718906
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide
CID 56521249
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 41145879

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenyl)acetamide (CID 55661935) is N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)cc1.
What is the InChIKey of N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenyl)acetamide?
The InChIKey is KJMADRPKCLVUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S2/c1-4-28-17-9-5-15(6-10-17)13-20(25)23-21-22-19(14-29-21)16-7-11-18(12-8-16)30(26,27)24(2)3/h5-12,14H,4,13H2,1-3H3,(H,22,23,25).
What are the key properties of N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenyl)acetamide?
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenyl)acetamide has a molecular weight of 445.57 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 55661935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).