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

C19H19N3O3S2 — CID 2275751

IUPAC2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2nc(C)c(C(=O)Nc3ccccc3)s2)c1
InChIInChI=1S/C19H19N3O3S2/c1-12-9-10-13(2)16(11-12)27(24,25)22-19-20-14(3)17(26-19)18(23)21-15-7-5-4-6-8-15/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyUCMIRAPCCJYAGC-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.12
Rot. Bonds5

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

2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 2275751) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID2275751
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC Name2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2nc(C)c(C(=O)Nc3ccccc3)s2)c1
InChIInChI=1S/C19H19N3O3S2/c1-12-9-10-13(2)16(11-12)27(24,25)22-19-20-14(3)17(26-19)18(23)21-15-7-5-4-6-8-15/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyUCMIRAPCCJYAGC-UHFFFAOYSA-N
XLogP4.12
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (CID 2275751) is 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is Cc1ccc(C)c(S(=O)(=O)Nc2nc(C)c(C(=O)Nc3ccccc3)s2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is UCMIRAPCCJYAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-12-9-10-13(2)16(11-12)27(24,25)22-19-20-14(3)17(26-19)18(23)21-15-7-5-4-6-8-15/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 2275751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).