N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide

C15H17N3O6S2 — CID 100688861

IUPACN-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)NC[C@@](O)(c2ccco2)c2cccs2)C1=O
InChIInChI=1S/C15H17N3O6S2/c1-26(22,23)18-7-6-17(14(18)20)13(19)16-10-15(21,11-4-2-8-24-11)12-5-3-9-25-12/h2-5,8-9,21H,6-7,10H2,1H3,(H,16,19)/t15-/m1/s1
InChIKeyIPBQJUDXIAXOAX-OAHLLOKOSA-N
MW399.45 g/mol
LogP0.98
Rot. Bonds5

About N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide

N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide (PubChem CID 100688861) has the molecular formula C15H17N3O6S2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
PubChem CID100688861
Molecular FormulaC15H17N3O6S2
Molecular Weight399.45 g/mol
Exact Mass399.06
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)NC[C@@](O)(c2ccco2)c2cccs2)C1=O
InChIInChI=1S/C15H17N3O6S2/c1-26(22,23)18-7-6-17(14(18)20)13(19)16-10-15(21,11-4-2-8-24-11)12-5-3-9-25-12/h2-5,8-9,21H,6-7,10H2,1H3,(H,16,19)/t15-/m1/s1
InChIKeyIPBQJUDXIAXOAX-OAHLLOKOSA-N
XLogP0.98
TPSA120.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
CID 121018437
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 100689543
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
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 100688805
2-cyclopentylsulfanyl-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 91816644
(E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide
CID 100687563
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 91816673
N'-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
CID 129416529
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 100687794
3-methylsulfonyl-2-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]imidazolidine-1-carboxamide
CID 122163106
(E)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-phenylethenesulfonamide
CID 117054904

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide (CID 100688861) is N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide is CS(=O)(=O)N1CCN(C(=O)NC[C@@](O)(c2ccco2)c2cccs2)C1=O.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
The InChIKey is IPBQJUDXIAXOAX-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17N3O6S2/c1-26(22,23)18-7-6-17(14(18)20)13(19)16-10-15(21,11-4-2-8-24-11)12-5-3-9-25-12/h2-5,8-9,21H,6-7,10H2,1H3,(H,16,19)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 0.98, 5 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]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 100688861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).