N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide

C19H21NO5S2 — CID 124761482

IUPACN-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NC[C@@](O)(c1ccsc1)c1ccco1
InChIInChI=1S/C19H21NO5S2/c1-13-9-16(24-3)17(10-14(13)2)27(22,23)20-12-19(21,15-6-8-26-11-15)18-5-4-7-25-18/h4-11,20-21H,12H2,1-3H3/t19-/m1/s1
InChIKeyZRJXDHSFGAEONO-LJQANCHMSA-N
MW407.51 g/mol
LogP3.18
Rot. Bonds7

About N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide

N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 124761482) has the molecular formula C19H21NO5S2 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
PubChem CID124761482
Molecular FormulaC19H21NO5S2
Molecular Weight407.51 g/mol
Exact Mass407.09
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NC[C@@](O)(c1ccsc1)c1ccco1
InChIInChI=1S/C19H21NO5S2/c1-13-9-16(24-3)17(10-14(13)2)27(22,23)20-12-19(21,15-6-8-26-11-15)18-5-4-7-25-18/h4-11,20-21H,12H2,1-3H3/t19-/m1/s1
InChIKeyZRJXDHSFGAEONO-LJQANCHMSA-N
XLogP3.18
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 129355075
3-chloro-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide
CID 124727367
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]pyridine-3-sulfonamide
CID 126850772
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methylpyrazole-4-sulfonamide
CID 124892244
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide
CID 121018387
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 119101141
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 119101140
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 124892290
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 124891780
1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea
CID 119101156
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 119101108
4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 121018403

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (CID 124761482) is N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@](O)(c1ccsc1)c1ccco1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is ZRJXDHSFGAEONO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21NO5S2/c1-13-9-16(24-3)17(10-14(13)2)27(22,23)20-12-19(21,15-6-8-26-11-15)18-5-4-7-25-18/h4-11,20-21H,12H2,1-3H3/t19-/m1/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide has a molecular weight of 407.51 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 124761482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).