N-(4-sulfamoylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide

C18H15F3N4O4S2 — CID 30940888

IUPACN-(4-sulfamoylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cc2csc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C18H15F3N4O4S2/c19-18(20,21)29-14-5-1-12(2-6-14)24-17-25-13(10-30-17)9-16(26)23-11-3-7-15(8-4-11)31(22,27)28/h1-8,10H,9H2,(H,23,26)(H,24,25)(H2,22,27,28)
InChIKeySIEWWFIHCXNSNU-UHFFFAOYSA-N
MW472.47 g/mol
LogP3.61
Rot. Bonds7

About N-(4-sulfamoylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide

N-(4-sulfamoylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide (PubChem CID 30940888) has the molecular formula C18H15F3N4O4S2 and a molecular weight of 472.47 g/mol. Its IUPAC name is N-(4-sulfamoylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-sulfamoylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
PubChem CID30940888
Molecular FormulaC18H15F3N4O4S2
Molecular Weight472.47 g/mol
Exact Mass472.05
IUPAC NameN-(4-sulfamoylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cc2csc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C18H15F3N4O4S2/c19-18(20,21)29-14-5-1-12(2-6-14)24-17-25-13(10-30-17)9-16(26)23-11-3-7-15(8-4-11)31(22,27)28/h1-8,10H,9H2,(H,23,26)(H,24,25)(H2,22,27,28)
InChIKeySIEWWFIHCXNSNU-UHFFFAOYSA-N
XLogP3.61
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetamidophenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
CID 30941086
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-sulfamoylphenyl)acetamide
CID 41211564
N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229370
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 27377773
1-(4-methylpiperidin-1-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]ethanone
CID 30940900
4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 18572014
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 24524635
ethyl 4-[[2-(2-anilino-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 30940427
N-(3-fluoro-4-methylphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30860051
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940810
N-(3-acetamidophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 27378040
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-chlorophenyl)acetamide
CID 30940405

Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(4-sulfamoylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide (CID 30940888) is N-(4-sulfamoylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(4-sulfamoylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(4-sulfamoylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide is NS(=O)(=O)c1ccc(NC(=O)Cc2csc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1.
What is the InChIKey of N-(4-sulfamoylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is SIEWWFIHCXNSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O4S2/c19-18(20,21)29-14-5-1-12(2-6-14)24-17-25-13(10-30-17)9-16(26)23-11-3-7-15(8-4-11)31(22,27)28/h1-8,10H,9H2,(H,23,26)(H,24,25)(H2,22,27,28).
What are the key properties of N-(4-sulfamoylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide?
N-(4-sulfamoylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 472.47 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 30940888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).