N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide

C17H21N3O4S2 — CID 119101140

IUPACN-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)NCC(O)(c2ccsc2)c2ccco2)cn1C
InChIInChI=1S/C17H21N3O4S2/c1-12(2)16-19-15(9-20(16)3)26(22,23)18-11-17(21,13-6-8-25-10-13)14-5-4-7-24-14/h4-10,12,18,21H,11H2,1-3H3
InChIKeyKDAQKBWAKSNPRA-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.41
Rot. Bonds7

About N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide

N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 119101140) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID119101140
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC NameN-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)NCC(O)(c2ccsc2)c2ccco2)cn1C
InChIInChI=1S/C17H21N3O4S2/c1-12(2)16-19-15(9-20(16)3)26(22,23)18-11-17(21,13-6-8-25-10-13)14-5-4-7-24-14/h4-10,12,18,21H,11H2,1-3H3
InChIKeyKDAQKBWAKSNPRA-UHFFFAOYSA-N
XLogP2.41
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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]pyridine-3-sulfonamide
CID 126850772
1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea
CID 119101156
2,6-difluoro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide
CID 124891054
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 119101108
3-chloro-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide
CID 124727367
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 124891780
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 119101141
N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 124761482
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]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 124891612
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 100689543

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide (CID 119101140) is N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide is CC(C)c1nc(S(=O)(=O)NCC(O)(c2ccsc2)c2ccco2)cn1C.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is KDAQKBWAKSNPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c1-12(2)16-19-15(9-20(16)3)26(22,23)18-11-17(21,13-6-8-25-10-13)14-5-4-7-24-14/h4-10,12,18,21H,11H2,1-3H3.
What are the key properties of N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 395.51 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 119101140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).