2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide

C18H17N3O3S2 — CID 16802205

IUPAC2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2csc(NS(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C18H17N3O3S2/c1-13-7-9-14(10-8-13)19-17(22)11-15-12-25-18(20-15)21-26(23,24)16-5-3-2-4-6-16/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyACWLCSOGHYYHIZ-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.43
Rot. Bonds6

About 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide

2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide (PubChem CID 16802205) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
PubChem CID16802205
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC Name2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2csc(NS(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C18H17N3O3S2/c1-13-7-9-14(10-8-13)19-17(22)11-15-12-25-18(20-15)21-26(23,24)16-5-3-2-4-6-16/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyACWLCSOGHYYHIZ-UHFFFAOYSA-N
XLogP3.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 18571965
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 108802061
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide
CID 41231527
2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 18571981
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 138673654
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide
CID 41231504
N-(2,5-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970874
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 44922574
N-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970873
N-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 18572007
N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567499
2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 18571924

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide (CID 16802205) is 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cc2csc(NS(=O)(=O)c3ccccc3)n2)cc1.
What is the InChIKey of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is ACWLCSOGHYYHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-13-7-9-14(10-8-13)19-17(22)11-15-12-25-18(20-15)21-26(23,24)16-5-3-2-4-6-16/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide?
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 387.49 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 16802205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).