3-methylsulfonyl-2-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]imidazolidine-1-carboxamide

C14H15N5O4S2 — CID 122163106

IUPAC3-methylsulfonyl-2-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]imidazolidine-1-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)NCc2nccnc2-c2cccs2)C1=O
InChIInChI=1S/C14H15N5O4S2/c1-25(22,23)19-7-6-18(14(19)21)13(20)17-9-10-12(16-5-4-15-10)11-3-2-8-24-11/h2-5,8H,6-7,9H2,1H3,(H,17,20)
InChIKeyAIUVVHDPPGDBMH-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.11
Rot. Bonds4

About 3-methylsulfonyl-2-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]imidazolidine-1-carboxamide

3-methylsulfonyl-2-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]imidazolidine-1-carboxamide (PubChem CID 122163106) has the molecular formula C14H15N5O4S2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-methylsulfonyl-2-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]imidazolidine-1-carboxamide.

Molecular Properties

Compound Name3-methylsulfonyl-2-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]imidazolidine-1-carboxamide
PubChem CID122163106
Molecular FormulaC14H15N5O4S2
Molecular Weight381.44 g/mol
Exact Mass381.06
IUPAC Name3-methylsulfonyl-2-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]imidazolidine-1-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)NCc2nccnc2-c2cccs2)C1=O
InChIInChI=1S/C14H15N5O4S2/c1-25(22,23)19-7-6-18(14(19)21)13(20)17-9-10-12(16-5-4-15-10)11-3-2-8-24-11/h2-5,8H,6-7,9H2,1H3,(H,17,20)
InChIKeyAIUVVHDPPGDBMH-UHFFFAOYSA-N
XLogP1.11
TPSA112.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.11
H-Bond Donors ≤ 51
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
2-oxo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazolidine-1-carboxamide
CID 91625826
1-(2,6-difluorophenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea
CID 122163125
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
CID 100688861
1-(2-methoxyphenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea
CID 122163123
2-(2,4-difluorophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]acetamide
CID 122163097
4-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]chromene-2-carboxamide
CID 119106291
3-(4-cyanophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide
CID 131704068
N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]-3-(trifluoromethoxy)benzamide
CID 122163086
2-[4-[(3-thiophen-2-ylpyrazin-2-yl)methylsulfamoyl]phenoxy]acetamide
CID 122163141
4-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122162295
3-(2-methoxynaphthalen-1-yl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide
CID 119106294

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-2-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]imidazolidine-1-carboxamide?
The IUPAC name of 3-methylsulfonyl-2-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]imidazolidine-1-carboxamide (CID 122163106) is 3-methylsulfonyl-2-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]imidazolidine-1-carboxamide.
What is the SMILES notation for 3-methylsulfonyl-2-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]imidazolidine-1-carboxamide?
The canonical SMILES for 3-methylsulfonyl-2-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]imidazolidine-1-carboxamide is CS(=O)(=O)N1CCN(C(=O)NCc2nccnc2-c2cccs2)C1=O.
What is the InChIKey of 3-methylsulfonyl-2-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]imidazolidine-1-carboxamide?
The InChIKey is AIUVVHDPPGDBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O4S2/c1-25(22,23)19-7-6-18(14(19)21)13(20)17-9-10-12(16-5-4-15-10)11-3-2-8-24-11/h2-5,8H,6-7,9H2,1H3,(H,17,20).
What are the key properties of 3-methylsulfonyl-2-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]imidazolidine-1-carboxamide?
3-methylsulfonyl-2-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]imidazolidine-1-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-2-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]imidazolidine-1-carboxamide is sourced from PubChem (CID 122163106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).