N-propan-2-yl-2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide

C17H20F3N3O3S2 — CID 118302034

IUPACN-propan-2-yl-2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)NC(=O)Cc1ncc(-c2ccc(S(=O)(=O)NCCC(F)(F)F)cc2)s1
InChIInChI=1S/C17H20F3N3O3S2/c1-11(2)23-15(24)9-16-21-10-14(27-16)12-3-5-13(6-4-12)28(25,26)22-8-7-17(18,19)20/h3-6,10-11,22H,7-9H2,1-2H3,(H,23,24)
InChIKeyHDFLHDWCPZTJAR-UHFFFAOYSA-N
MW435.49 g/mol
LogP3.11
Rot. Bonds8

About N-propan-2-yl-2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide

N-propan-2-yl-2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 118302034) has the molecular formula C17H20F3N3O3S2 and a molecular weight of 435.49 g/mol. Its IUPAC name is N-propan-2-yl-2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID118302034
Molecular FormulaC17H20F3N3O3S2
Molecular Weight435.49 g/mol
Exact Mass435.09
IUPAC NameN-propan-2-yl-2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)NC(=O)Cc1ncc(-c2ccc(S(=O)(=O)NCCC(F)(F)F)cc2)s1
InChIInChI=1S/C17H20F3N3O3S2/c1-11(2)23-15(24)9-16-21-10-14(27-16)12-3-5-13(6-4-12)28(25,26)22-8-7-17(18,19)20/h3-6,10-11,22H,7-9H2,1-2H3,(H,23,24)
InChIKeyHDFLHDWCPZTJAR-UHFFFAOYSA-N
XLogP3.11
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide (CID 118302034) is N-propan-2-yl-2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide is CC(C)NC(=O)Cc1ncc(-c2ccc(S(=O)(=O)NCCC(F)(F)F)cc2)s1.
What is the InChIKey of N-propan-2-yl-2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is HDFLHDWCPZTJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O3S2/c1-11(2)23-15(24)9-16-21-10-14(27-16)12-3-5-13(6-4-12)28(25,26)22-8-7-17(18,19)20/h3-6,10-11,22H,7-9H2,1-2H3,(H,23,24).
What are the key properties of N-propan-2-yl-2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide?
N-propan-2-yl-2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 435.49 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 118302034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).