N-[[(2R)-oxan-2-yl]methylsulfonyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

C17H20N2O4S2 — CID 98284648

IUPACN-[[(2R)-oxan-2-yl]methylsulfonyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2)n1)NS(=O)(=O)C[C@H]1CCCCO1
InChIInChI=1S/C17H20N2O4S2/c20-16(19-25(21,22)12-15-8-4-5-9-23-15)10-14-11-24-17(18-14)13-6-2-1-3-7-13/h1-3,6-7,11,15H,4-5,8-10,12H2,(H,19,20)/t15-/m1/s1
InChIKeyYGDCUTSNSDRHHT-OAHLLOKOSA-N
MW380.49 g/mol
LogP2.37
Rot. Bonds6

About N-[[(2R)-oxan-2-yl]methylsulfonyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

N-[[(2R)-oxan-2-yl]methylsulfonyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 98284648) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[[(2R)-oxan-2-yl]methylsulfonyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[(2R)-oxan-2-yl]methylsulfonyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID98284648
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC NameN-[[(2R)-oxan-2-yl]methylsulfonyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2)n1)NS(=O)(=O)C[C@H]1CCCCO1
InChIInChI=1S/C17H20N2O4S2/c20-16(19-25(21,22)12-15-8-4-5-9-23-15)10-14-11-24-17(18-14)13-6-2-1-3-7-13/h1-3,6-7,11,15H,4-5,8-10,12H2,(H,19,20)/t15-/m1/s1
InChIKeyYGDCUTSNSDRHHT-OAHLLOKOSA-N
XLogP2.37
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 30661838
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(oxan-2-ylmethylsulfonyl)acetamide
CID 102557126
oxan-2-ylmethyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 60599251
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 97266880
N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 4800325
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18146081
N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 47777690
2-(oxolan-2-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide
CID 56800236
5-chloro-N-(oxan-2-ylmethylsulfonyl)furan-2-carboxamide
CID 134813247
N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 91767534
2-[4-(oxan-2-ylmethylsulfonyl)phenyl]acetic acid
CID 43592044

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxan-2-yl]methylsulfonyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[(2R)-oxan-2-yl]methylsulfonyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 98284648) is N-[[(2R)-oxan-2-yl]methylsulfonyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[(2R)-oxan-2-yl]methylsulfonyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[(2R)-oxan-2-yl]methylsulfonyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccccc2)n1)NS(=O)(=O)C[C@H]1CCCCO1.
What is the InChIKey of N-[[(2R)-oxan-2-yl]methylsulfonyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is YGDCUTSNSDRHHT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c20-16(19-25(21,22)12-15-8-4-5-9-23-15)10-14-11-24-17(18-14)13-6-2-1-3-7-13/h1-3,6-7,11,15H,4-5,8-10,12H2,(H,19,20)/t15-/m1/s1.
What are the key properties of N-[[(2R)-oxan-2-yl]methylsulfonyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-[[(2R)-oxan-2-yl]methylsulfonyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 380.49 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxan-2-yl]methylsulfonyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 98284648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).