N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-propan-2-ylimidazole-4-sulfonamide

C16H19N3O4S2 — CID 100689543

IUPACN-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NC[C@@](O)(c2ccco2)c2cccs2)c1
InChIInChI=1S/C16H19N3O4S2/c1-12(2)19-9-15(17-11-19)25(21,22)18-10-16(20,13-5-3-7-23-13)14-6-4-8-24-14/h3-9,11-12,18,20H,10H2,1-2H3/t16-/m1/s1
InChIKeyVDJVCYIBYRTCEV-MRXNPFEDSA-N
MW381.48 g/mol
LogP2.33
Rot. Bonds7

About N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-propan-2-ylimidazole-4-sulfonamide

N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 100689543) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID100689543
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NC[C@@](O)(c2ccco2)c2cccs2)c1
InChIInChI=1S/C16H19N3O4S2/c1-12(2)19-9-15(17-11-19)25(21,22)18-10-16(20,13-5-3-7-23-13)14-6-4-8-24-14/h3-9,11-12,18,20H,10H2,1-2H3/t16-/m1/s1
InChIKeyVDJVCYIBYRTCEV-MRXNPFEDSA-N
XLogP2.33
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 100689408
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
CID 100688861
(E)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-phenylethenesulfonamide
CID 117054904
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 100688805
N-[1-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 109379608
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 119101140
N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide
CID 100687429
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide
CID 91816630
(E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide
CID 100687563
3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide
CID 91816672
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 91816673
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 100688916

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-propan-2-ylimidazole-4-sulfonamide (CID 100689543) is N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-propan-2-ylimidazole-4-sulfonamide is CC(C)n1cnc(S(=O)(=O)NC[C@@](O)(c2ccco2)c2cccs2)c1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is VDJVCYIBYRTCEV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-12(2)19-9-15(17-11-19)25(21,22)18-10-16(20,13-5-3-7-23-13)14-6-4-8-24-14/h3-9,11-12,18,20H,10H2,1-2H3/t16-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-propan-2-ylimidazole-4-sulfonamide?
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 381.48 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 100689543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).