N-(5-tert-butyl-2-methylphenyl)sulfonyl-2-methyl-1,3-thiazole-5-carboxamide

C16H20N2O3S2 — CID 56528260

IUPACN-(5-tert-butyl-2-methylphenyl)sulfonyl-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)s1
InChIInChI=1S/C16H20N2O3S2/c1-10-6-7-12(16(3,4)5)8-14(10)23(20,21)18-15(19)13-9-17-11(2)22-13/h6-9H,1-5H3,(H,18,19)
InChIKeyQDPXLJSIPKNNTM-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.18
Rot. Bonds3

About N-(5-tert-butyl-2-methylphenyl)sulfonyl-2-methyl-1,3-thiazole-5-carboxamide

N-(5-tert-butyl-2-methylphenyl)sulfonyl-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 56528260) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methylphenyl)sulfonyl-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methylphenyl)sulfonyl-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID56528260
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC NameN-(5-tert-butyl-2-methylphenyl)sulfonyl-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)s1
InChIInChI=1S/C16H20N2O3S2/c1-10-6-7-12(16(3,4)5)8-14(10)23(20,21)18-15(19)13-9-17-11(2)22-13/h6-9H,1-5H3,(H,18,19)
InChIKeyQDPXLJSIPKNNTM-UHFFFAOYSA-N
XLogP3.18
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(1-methylpyrazol-4-yl)sulfonyl-1,3-thiazole-5-carboxamide
CID 56826032
N-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857349
(2R)-2-[(5-tert-butyl-2-methylphenyl)sulfonylamino]propanoic acid
CID 78972782
3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 79027133
N-(5-tert-butyl-2-methylphenyl)sulfonyl-N'-methylbenzenecarboximidamide
CID 3789425
2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110856576
methyl 3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]propanoate
CID 78907308
N-(5-tert-butyl-2-methylphenyl)sulfonyloxane-2-carboxamide
CID 154781593
N-[2-(4-fluorophenyl)sulfonylethylsulfonyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 154749734
4-tert-butyl-1-methyl-2-methylsulfonylbenzene
CID 123141469
5-tert-butyl-N-ethoxy-2-methylbenzenesulfonamide
CID 115279308
5-tert-butyl-2-methyl-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
CID 37119295

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methylphenyl)sulfonyl-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-methylphenyl)sulfonyl-2-methyl-1,3-thiazole-5-carboxamide (CID 56528260) is N-(5-tert-butyl-2-methylphenyl)sulfonyl-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-methylphenyl)sulfonyl-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-methylphenyl)sulfonyl-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)s1.
What is the InChIKey of N-(5-tert-butyl-2-methylphenyl)sulfonyl-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QDPXLJSIPKNNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-10-6-7-12(16(3,4)5)8-14(10)23(20,21)18-15(19)13-9-17-11(2)22-13/h6-9H,1-5H3,(H,18,19).
What are the key properties of N-(5-tert-butyl-2-methylphenyl)sulfonyl-2-methyl-1,3-thiazole-5-carboxamide?
N-(5-tert-butyl-2-methylphenyl)sulfonyl-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methylphenyl)sulfonyl-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56528260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).