N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C15H16N2O5S2 — CID 124759827

IUPACN-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC[C@](O)(c1ccoc1)c1cccs1
InChIInChI=1S/C15H16N2O5S2/c1-10-14(11(2)22-17-10)24(19,20)16-9-15(18,12-5-6-21-8-12)13-4-3-7-23-13/h3-8,16,18H,9H2,1-2H3/t15-/m0/s1
InChIKeyIDKVVCTZVYSICJ-HNNXBMFYSA-N
MW368.44 g/mol
LogP2.16
Rot. Bonds6

About N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 124759827) has the molecular formula C15H16N2O5S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID124759827
Molecular FormulaC15H16N2O5S2
Molecular Weight368.44 g/mol
Exact Mass368.05
IUPAC NameN-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC[C@](O)(c1ccoc1)c1cccs1
InChIInChI=1S/C15H16N2O5S2/c1-10-14(11(2)22-17-10)24(19,20)16-9-15(18,12-5-6-21-8-12)13-4-3-7-23-13/h3-8,16,18H,9H2,1-2H3/t15-/m0/s1
InChIKeyIDKVVCTZVYSICJ-HNNXBMFYSA-N
XLogP2.16
TPSA105.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide
CID 124727787
N-[4-[[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]sulfamoyl]-3-methylphenyl]acetamide
CID 121018483
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 124727906
1-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide
CID 124760650
N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 97065958
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 124760232
N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 124760233
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide
CID 121018444
3,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,2-oxazole-4-sulfonamide
CID 95376531
N-(2-hydroxy-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 65113388
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 124760151
N'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
CID 129418002

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 124759827) is N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC[C@](O)(c1ccoc1)c1cccs1.
What is the InChIKey of N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is IDKVVCTZVYSICJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16N2O5S2/c1-10-14(11(2)22-17-10)24(19,20)16-9-15(18,12-5-6-21-8-12)13-4-3-7-23-13/h3-8,16,18H,9H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 368.44 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 124759827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).