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

C26H24FN3O3S2 — CID 16944532

IUPACN-(3,3-diphenylpropyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)cc2)sc1C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24FN3O3S2/c1-18-24(34-26(29-18)30-35(32,33)22-14-12-21(27)13-15-22)25(31)28-17-16-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,23H,16-17H2,1H3,(H,28,31)(H,29,30)
InChIKeyCOEMXAYXDLFMJU-UHFFFAOYSA-N
MW509.63 g/mol
LogP5.34
Rot. Bonds9

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

N-(3,3-diphenylpropyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 16944532) has the molecular formula C26H24FN3O3S2 and a molecular weight of 509.63 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID16944532
Molecular FormulaC26H24FN3O3S2
Molecular Weight509.63 g/mol
Exact Mass509.12
IUPAC NameN-(3,3-diphenylpropyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)cc2)sc1C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24FN3O3S2/c1-18-24(34-26(29-18)30-35(32,33)22-14-12-21(27)13-15-22)25(31)28-17-16-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,23H,16-17H2,1H3,(H,28,31)(H,29,30)
InChIKeyCOEMXAYXDLFMJU-UHFFFAOYSA-N
XLogP5.34
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.63
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide (CID 16944532) is N-(3,3-diphenylpropyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NS(=O)(=O)c2ccc(F)cc2)sc1C(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is COEMXAYXDLFMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3S2/c1-18-24(34-26(29-18)30-35(32,33)22-14-12-21(27)13-15-22)25(31)28-17-16-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,23H,16-17H2,1H3,(H,28,31)(H,29,30).
What are the key properties of N-(3,3-diphenylpropyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide?
N-(3,3-diphenylpropyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 509.63 g/mol, XLogP of 5.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16944532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).