1-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide

C18H16N2O5S2 — CID 124760650

IUPAC1-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)NC[C@@](O)(c1ccoc1)c1cccs1
InChIInChI=1S/C18H16N2O5S2/c21-18(13-7-8-24-10-13,17-6-3-9-26-17)12-19-27(22,23)11-15-14-4-1-2-5-16(14)25-20-15/h1-10,19,21H,11-12H2/t18-/m1/s1
InChIKeyOJAQGPNFTRJXEU-GOSISDBHSA-N
MW404.47 g/mol
LogP2.84
Rot. Bonds7

About 1-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide (PubChem CID 124760650) has the molecular formula C18H16N2O5S2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide
PubChem CID124760650
Molecular FormulaC18H16N2O5S2
Molecular Weight404.47 g/mol
Exact Mass404.05
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)NC[C@@](O)(c1ccoc1)c1cccs1
InChIInChI=1S/C18H16N2O5S2/c21-18(13-7-8-24-10-13,17-6-3-9-26-17)12-19-27(22,23)11-15-14-4-1-2-5-16(14)25-20-15/h1-10,19,21H,11-12H2/t18-/m1/s1
InChIKeyOJAQGPNFTRJXEU-GOSISDBHSA-N
XLogP2.84
TPSA105.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,2-benzoxazol-3-yl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)methanesulfonamide
CID 126852474
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide
CID 124727787
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 124759827
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
CID 124892133
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 124727906
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 129417010
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 129417009
N'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
CID 129418002
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide
CID 124891349
N-[4-[[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]sulfamoyl]-3-methylphenyl]acetamide
CID 121018483
1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane
CID 144673526
2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 126852465

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide (CID 124760650) is 1-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide is O=S(=O)(Cc1noc2ccccc12)NC[C@@](O)(c1ccoc1)c1cccs1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide?
The InChIKey is OJAQGPNFTRJXEU-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16N2O5S2/c21-18(13-7-8-24-10-13,17-6-3-9-26-17)12-19-27(22,23)11-15-14-4-1-2-5-16(14)25-20-15/h1-10,19,21H,11-12H2/t18-/m1/s1.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide has a molecular weight of 404.47 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide is sourced from PubChem (CID 124760650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).