N-(3-imidazol-1-ylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiopyran-5-carboxamide

C15H15N3O3S — CID 155963940

IUPACN-(3-imidazol-1-ylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiopyran-5-carboxamide
SMILESO=C(Nc1cccc(-n2ccnc2)c1)C1=CS(=O)(=O)CCC1
InChIInChI=1S/C15H15N3O3S/c19-15(12-3-2-8-22(20,21)10-12)17-13-4-1-5-14(9-13)18-7-6-16-11-18/h1,4-7,9-11H,2-3,8H2,(H,17,19)
InChIKeyOKSUVFCOVGCGBA-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.90
Rot. Bonds3

About N-(3-imidazol-1-ylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiopyran-5-carboxamide

N-(3-imidazol-1-ylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiopyran-5-carboxamide (PubChem CID 155963940) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(3-imidazol-1-ylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiopyran-5-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiopyran-5-carboxamide
PubChem CID155963940
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-(3-imidazol-1-ylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiopyran-5-carboxamide
SMILESO=C(Nc1cccc(-n2ccnc2)c1)C1=CS(=O)(=O)CCC1
InChIInChI=1S/C15H15N3O3S/c19-15(12-3-2-8-22(20,21)10-12)17-13-4-1-5-14(9-13)18-7-6-16-11-18/h1,4-7,9-11H,2-3,8H2,(H,17,19)
InChIKeyOKSUVFCOVGCGBA-UHFFFAOYSA-N
XLogP1.90
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide
CID 103337237
2-amino-N-(3-imidazol-1-ylphenyl)cyclohexane-1-carboxamide
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N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide
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2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-imidazol-1-ylphenyl)acetamide
CID 51118112
5-chloro-N-(3-imidazol-1-ylphenyl)pentanamide
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CID 60866705

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiopyran-5-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiopyran-5-carboxamide (CID 155963940) is N-(3-imidazol-1-ylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiopyran-5-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiopyran-5-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiopyran-5-carboxamide is O=C(Nc1cccc(-n2ccnc2)c1)C1=CS(=O)(=O)CCC1.
What is the InChIKey of N-(3-imidazol-1-ylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiopyran-5-carboxamide?
The InChIKey is OKSUVFCOVGCGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c19-15(12-3-2-8-22(20,21)10-12)17-13-4-1-5-14(9-13)18-7-6-16-11-18/h1,4-7,9-11H,2-3,8H2,(H,17,19).
What are the key properties of N-(3-imidazol-1-ylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiopyran-5-carboxamide?
N-(3-imidazol-1-ylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiopyran-5-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiopyran-5-carboxamide is sourced from PubChem (CID 155963940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).