N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide

C21H21F2N3O3S2 — CID 162643844

IUPACN-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)Cc1nc(NS(=O)(=O)c2ccc(F)cc2)sc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H21F2N3O3S2/c1-13(2)11-18-19(20(27)24-12-14-3-5-15(22)6-4-14)30-21(25-18)26-31(28,29)17-9-7-16(23)8-10-17/h3-10,13H,11-12H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyMBUAUHSPOLQHMM-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.35
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide

N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 162643844) has the molecular formula C21H21F2N3O3S2 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID162643844
Molecular FormulaC21H21F2N3O3S2
Molecular Weight465.55 g/mol
Exact Mass465.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)Cc1nc(NS(=O)(=O)c2ccc(F)cc2)sc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H21F2N3O3S2/c1-13(2)11-18-19(20(27)24-12-14-3-5-15(22)6-4-14)30-21(25-18)26-31(28,29)17-9-7-16(23)8-10-17/h3-10,13H,11-12H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyMBUAUHSPOLQHMM-UHFFFAOYSA-N
XLogP4.35
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 162643844) is N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide is CC(C)Cc1nc(NS(=O)(=O)c2ccc(F)cc2)sc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is MBUAUHSPOLQHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O3S2/c1-13(2)11-18-19(20(27)24-12-14-3-5-15(22)6-4-14)30-21(25-18)26-31(28,29)17-9-7-16(23)8-10-17/h3-10,13H,11-12H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 162643844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).