N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide

C15H17N3O5S3 — CID 121018437

IUPACN-(2-hydroxy-2,2-dithiophen-2-ylethyl)-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)NCC(O)(c2cccs2)c2cccs2)C1=O
InChIInChI=1S/C15H17N3O5S3/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)
InChIKeySUUPNOSWBAHFCE-UHFFFAOYSA-N
MW415.52 g/mol
LogP1.45
Rot. Bonds5

About N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide

N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide (PubChem CID 121018437) has the molecular formula C15H17N3O5S3 and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,2-dithiophen-2-ylethyl)-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
PubChem CID121018437
Molecular FormulaC15H17N3O5S3
Molecular Weight415.52 g/mol
Exact Mass415.03
IUPAC NameN-(2-hydroxy-2,2-dithiophen-2-ylethyl)-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)NCC(O)(c2cccs2)c2cccs2)C1=O
InChIInChI=1S/C15H17N3O5S3/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)
InChIKeySUUPNOSWBAHFCE-UHFFFAOYSA-N
XLogP1.45
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 51.45
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]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
CID 100688861
3-methylsulfonyl-2-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]imidazolidine-1-carboxamide
CID 122163106
N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-oxoimidazolidine-1-carboxamide
CID 124759456
N-[(2S)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-oxoimidazolidine-1-carboxamide
CID 99873674
[1-[(2-hydroxy-2,2-dithiophen-2-ylethyl)amino]-2-methyl-1-oxopropan-2-yl] acetate
CID 121018434
N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylbutanamide
CID 119099245
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide
CID 124727787
(1R)-N-(2-hydroxy-2,2-dithiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide
CID 129356482
1-(2-hydroxy-2,2-dithiophen-2-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 119099265
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2,2-dithiophen-2-ylethyl)urea
CID 119099264
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-piperidin-1-ylsulfonylbenzamide
CID 90499866
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide
CID 121018444

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide (CID 121018437) is N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide is CS(=O)(=O)N1CCN(C(=O)NCC(O)(c2cccs2)c2cccs2)C1=O.
What is the InChIKey of N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
The InChIKey is SUUPNOSWBAHFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S3/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).
What are the key properties of N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 121018437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).