N-cyclopropyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide

C21H21N3O3S2 — CID 15523879

IUPACN-cyclopropyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide
SMILESCc1nc(N(C(=O)Cc2ccc(-c3ccccc3)cc2)C2CC2)sc1S(N)(=O)=O
InChIInChI=1S/C21H21N3O3S2/c1-14-20(29(22,26)27)28-21(23-14)24(18-11-12-18)19(25)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3,(H2,22,26,27)
InChIKeyZONNYLPARVFBKM-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.50
Rot. Bonds6

About N-cyclopropyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide

N-cyclopropyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide (PubChem CID 15523879) has the molecular formula C21H21N3O3S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide
PubChem CID15523879
Molecular FormulaC21H21N3O3S2
Molecular Weight427.55 g/mol
Exact Mass427.10
IUPAC NameN-cyclopropyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide
SMILESCc1nc(N(C(=O)Cc2ccc(-c3ccccc3)cc2)C2CC2)sc1S(N)(=O)=O
InChIInChI=1S/C21H21N3O3S2/c1-14-20(29(22,26)27)28-21(23-14)24(18-11-12-18)19(25)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3,(H2,22,26,27)
InChIKeyZONNYLPARVFBKM-UHFFFAOYSA-N
XLogP3.50
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[4-methyl-5-(methylsulfamoyl)thiazol-2-yl]-2-(4-phenylphenyl)acetamide
CID 3003616
N-methyl-N-(4-methyl-5-sulfamoyl-thiazol-2-yl)-2-(4-phenylphenyl)acetamide
CID 5278580
N-[5-(2-hydroxyethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 12094253
2-[4-(3-fluorophenyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide
CID 23111570
2-[4-(2-fluorophenyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-thiazol-2-yl)acetamide
CID 504302
2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-thiazol-2-yl)acetamide
CID 504303
2-[4-(2-fluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide
CID 21051266
N-[5-(2-aminoethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 21051327
N-methyl-N-[4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide
CID 21051344
Adibelivir
CID 138523649
N-[2-(dimethylamino)ethyl]-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide
CID 137636453
N-[5-(cyclopropylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 137655132

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-cyclopropyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide (CID 15523879) is N-cyclopropyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-cyclopropyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide is Cc1nc(N(C(=O)Cc2ccc(-c3ccccc3)cc2)C2CC2)sc1S(N)(=O)=O.
What is the InChIKey of N-cyclopropyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide?
The InChIKey is ZONNYLPARVFBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S2/c1-14-20(29(22,26)27)28-21(23-14)24(18-11-12-18)19(25)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3,(H2,22,26,27).
What are the key properties of N-cyclopropyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide?
N-cyclopropyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide has a molecular weight of 427.55 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 15523879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).