N-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylsulfamoyl)phenyl]acetamide

C12H15N3O3S2 — CID 156601231

IUPACN-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2=NCCCS2)cc1
InChIInChI=1S/C12H15N3O3S2/c1-9(16)14-10-3-5-11(6-4-10)20(17,18)15-12-13-7-2-8-19-12/h3-6H,2,7-8H2,1H3,(H,13,15)(H,14,16)
InChIKeyWRGGBKREENGAFK-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.42
Rot. Bonds3

About N-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylsulfamoyl)phenyl]acetamide

N-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 156601231) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID156601231
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC NameN-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2=NCCCS2)cc1
InChIInChI=1S/C12H15N3O3S2/c1-9(16)14-10-3-5-11(6-4-10)20(17,18)15-12-13-7-2-8-19-12/h3-6H,2,7-8H2,1H3,(H,13,15)(H,14,16)
InChIKeyWRGGBKREENGAFK-UHFFFAOYSA-N
XLogP1.42
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]formamide
CID 168652188
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-iodobenzenesulfonamide
CID 70999018
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
4-[(3-chloro-2-hydroxypropyl)amino]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide
CID 168639882
N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide
CID 5193248
N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112979916
2-(7-chloroindol-1-yl)-N-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 66908506
N-[4-[[3-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]phenyl]sulfamoyl]phenyl]acetamide
CID 58961400
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
N-[4-[[4-(cyclopentylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112980678
N-[4-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 82252971

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylsulfamoyl)phenyl]acetamide (CID 156601231) is N-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylsulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC2=NCCCS2)cc1.
What is the InChIKey of N-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is WRGGBKREENGAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-9(16)14-10-3-5-11(6-4-10)20(17,18)15-12-13-7-2-8-19-12/h3-6H,2,7-8H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylsulfamoyl)phenyl]acetamide?
N-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 156601231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).