2-amino-N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-4-phenyl-1,3-thiazole-5-carboxamide

C26H26N4O3S2 — CID 54003940

IUPAC2-amino-N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2sc(N)nc2-c2ccccc2)cc1
InChIInChI=1S/C26H26N4O3S2/c1-26(2,3)30-35(32,33)21-12-8-7-11-20(21)17-13-15-19(16-14-17)28-24(31)23-22(29-25(27)34-23)18-9-5-4-6-10-18/h4-16,30H,1-3H3,(H2,27,29)(H,28,31)
InChIKeyKNNDHQQPRLQUPD-UHFFFAOYSA-N
MW506.65 g/mol
LogP5.39
Rot. Bonds6

About 2-amino-N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-4-phenyl-1,3-thiazole-5-carboxamide

2-amino-N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 54003940) has the molecular formula C26H26N4O3S2 and a molecular weight of 506.65 g/mol. Its IUPAC name is 2-amino-N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID54003940
Molecular FormulaC26H26N4O3S2
Molecular Weight506.65 g/mol
Exact Mass506.14
IUPAC Name2-amino-N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2sc(N)nc2-c2ccccc2)cc1
InChIInChI=1S/C26H26N4O3S2/c1-26(2,3)30-35(32,33)21-12-8-7-11-20(21)17-13-15-19(16-14-17)28-24(31)23-22(29-25(27)34-23)18-9-5-4-6-10-18/h4-16,30H,1-3H3,(H2,27,29)(H,28,31)
InChIKeyKNNDHQQPRLQUPD-UHFFFAOYSA-N
XLogP5.39
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-4-phenyl-1,3-thiazole-5-carboxamide (CID 54003940) is 2-amino-N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-4-phenyl-1,3-thiazole-5-carboxamide is CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2sc(N)nc2-c2ccccc2)cc1.
What is the InChIKey of 2-amino-N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is KNNDHQQPRLQUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S2/c1-26(2,3)30-35(32,33)21-12-8-7-11-20(21)17-13-15-19(16-14-17)28-24(31)23-22(29-25(27)34-23)18-9-5-4-6-10-18/h4-16,30H,1-3H3,(H2,27,29)(H,28,31).
What are the key properties of 2-amino-N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-4-phenyl-1,3-thiazole-5-carboxamide?
2-amino-N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 506.65 g/mol, XLogP of 5.39, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 54003940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).