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

C19H18FN3O3S2 — CID 16944520

IUPAC2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2sc(NS(=O)(=O)c3ccc(F)cc3)nc2C)cc1
InChIInChI=1S/C19H18FN3O3S2/c1-12-3-5-14(6-4-12)11-21-18(24)17-13(2)22-19(27-17)23-28(25,26)16-9-7-15(20)8-10-16/h3-10H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyCVQATJZLQAIHQZ-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.63
Rot. Bonds6

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

2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 16944520) has the molecular formula C19H18FN3O3S2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID16944520
Molecular FormulaC19H18FN3O3S2
Molecular Weight419.50 g/mol
Exact Mass419.08
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2sc(NS(=O)(=O)c3ccc(F)cc3)nc2C)cc1
InChIInChI=1S/C19H18FN3O3S2/c1-12-3-5-14(6-4-12)11-21-18(24)17-13(2)22-19(27-17)23-28(25,26)16-9-7-15(20)8-10-16/h3-10H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyCVQATJZLQAIHQZ-UHFFFAOYSA-N
XLogP3.63
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide (CID 16944520) is 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide is Cc1ccc(CNC(=O)c2sc(NS(=O)(=O)c3ccc(F)cc3)nc2C)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is CVQATJZLQAIHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S2/c1-12-3-5-14(6-4-12)11-21-18(24)17-13(2)22-19(27-17)23-28(25,26)16-9-7-15(20)8-10-16/h3-10H,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide?
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16944520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).