N-[[2-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-thiazole-4-carboxamide

C22H20N4O5S2 — CID 42431927

IUPACN-[[2-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(-c3nc(CNC(=O)c4cscn4)c(C)o3)c2)cc1
InChIInChI=1S/C22H20N4O5S2/c1-14-19(11-23-21(27)20-12-32-13-24-20)25-22(31-14)15-4-3-5-16(10-15)26-33(28,29)18-8-6-17(30-2)7-9-18/h3-10,12-13,26H,11H2,1-2H3,(H,23,27)
InChIKeyNIURMZFLBMXXPP-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.85
Rot. Bonds8

About N-[[2-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-thiazole-4-carboxamide

N-[[2-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 42431927) has the molecular formula C22H20N4O5S2 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[[2-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID42431927
Molecular FormulaC22H20N4O5S2
Molecular Weight484.56 g/mol
Exact Mass484.09
IUPAC NameN-[[2-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(-c3nc(CNC(=O)c4cscn4)c(C)o3)c2)cc1
InChIInChI=1S/C22H20N4O5S2/c1-14-19(11-23-21(27)20-12-32-13-24-20)25-22(31-14)15-4-3-5-16(10-15)26-33(28,29)18-8-6-17(30-2)7-9-18/h3-10,12-13,26H,11H2,1-2H3,(H,23,27)
InChIKeyNIURMZFLBMXXPP-UHFFFAOYSA-N
XLogP3.85
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[2-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-thiazole-4-carboxamide (CID 42431927) is N-[[2-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[2-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[2-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-thiazole-4-carboxamide is COc1ccc(S(=O)(=O)Nc2cccc(-c3nc(CNC(=O)c4cscn4)c(C)o3)c2)cc1.
What is the InChIKey of N-[[2-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NIURMZFLBMXXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5S2/c1-14-19(11-23-21(27)20-12-32-13-24-20)25-22(31-14)15-4-3-5-16(10-15)26-33(28,29)18-8-6-17(30-2)7-9-18/h3-10,12-13,26H,11H2,1-2H3,(H,23,27).
What are the key properties of N-[[2-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[[2-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42431927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).