2-benzylsulfonyl-N-(1,3-thiazol-2-yl)acetamide

C12H12N2O3S2 — CID 3158209

IUPAC2-benzylsulfonyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CS(=O)(=O)Cc1ccccc1)Nc1nccs1
InChIInChI=1S/C12H12N2O3S2/c15-11(14-12-13-6-7-18-12)9-19(16,17)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14,15)
InChIKeyNBHAPLDERTXVJF-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.70
Rot. Bonds5

About 2-benzylsulfonyl-N-(1,3-thiazol-2-yl)acetamide

2-benzylsulfonyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3158209) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3158209
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Name2-benzylsulfonyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CS(=O)(=O)Cc1ccccc1)Nc1nccs1
InChIInChI=1S/C12H12N2O3S2/c15-11(14-12-13-6-7-18-12)9-19(16,17)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14,15)
InChIKeyNBHAPLDERTXVJF-UHFFFAOYSA-N
XLogP1.70
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4R)-4-[benzylsulfonyl(methyl)amino]azepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 92634989
3-benzylsulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 6498108
2-benzylsulfonyl-N-(4-methyl-2-pyridinyl)acetamide
CID 1094082
2-[benzyl(methyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134023
3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 169288578
2-benzylsulfonyl-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide
CID 647806
2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 6468138
1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 127514333
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470
1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea
CID 47363759
N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-2-[(4-chlorophenyl)methylsulfonyl]acetamide
CID 17225296
2-[benzenesulfonyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 4087394

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-benzylsulfonyl-N-(1,3-thiazol-2-yl)acetamide (CID 3158209) is 2-benzylsulfonyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-benzylsulfonyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-benzylsulfonyl-N-(1,3-thiazol-2-yl)acetamide is O=C(CS(=O)(=O)Cc1ccccc1)Nc1nccs1.
What is the InChIKey of 2-benzylsulfonyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is NBHAPLDERTXVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c15-11(14-12-13-6-7-18-12)9-19(16,17)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14,15).
What are the key properties of 2-benzylsulfonyl-N-(1,3-thiazol-2-yl)acetamide?
2-benzylsulfonyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 296.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3158209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).