N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C24H29N3O4S2 — CID 27675219

IUPACN-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2sc(-c3ccccc3)nc2C)c1
InChIInChI=1S/C24H29N3O4S2/c1-6-27(7-2)33(29,30)19-13-14-21(31-16(3)4)20(15-19)26-23(28)22-17(5)25-24(32-22)18-11-9-8-10-12-18/h8-16H,6-7H2,1-5H3,(H,26,28)
InChIKeyAPBQSOBUMIBMQF-UHFFFAOYSA-N
MW487.65 g/mol
LogP5.19
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 27675219) has the molecular formula C24H29N3O4S2 and a molecular weight of 487.65 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID27675219
Molecular FormulaC24H29N3O4S2
Molecular Weight487.65 g/mol
Exact Mass487.16
IUPAC NameN-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2sc(-c3ccccc3)nc2C)c1
InChIInChI=1S/C24H29N3O4S2/c1-6-27(7-2)33(29,30)19-13-14-21(31-16(3)4)20(15-19)26-23(28)22-17(5)25-24(32-22)18-11-9-8-10-12-18/h8-16H,6-7H2,1-5H3,(H,26,28)
InChIKeyAPBQSOBUMIBMQF-UHFFFAOYSA-N
XLogP5.19
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.65
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16622288
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylsulfonylbenzamide
CID 26354339
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylpentanamide
CID 26354245
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]thiophene-3-carboxamide
CID 17470180
3,6-dichloro-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]pyridine-2-carboxamide
CID 26354825
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-fluorobenzamide
CID 7958654
N-(2-fluoro-5-methylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27677610
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16622286
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopropanecarboxamide
CID 26354488
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 24644751
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 112797360
2-chloro-5-(diethylsulfamoyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 60568577

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 27675219) is N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2sc(-c3ccccc3)nc2C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is APBQSOBUMIBMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S2/c1-6-27(7-2)33(29,30)19-13-14-21(31-16(3)4)20(15-19)26-23(28)22-17(5)25-24(32-22)18-11-9-8-10-12-18/h8-16H,6-7H2,1-5H3,(H,26,28).
What are the key properties of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 487.65 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 27675219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).