2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide

C16H25N3O4S — CID 7828917

IUPAC2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C16H25N3O4S/c1-12-6-4-5-7-14(12)17-15(20)11-19-10-13(8-9-16(19)21)24(22,23)18(2)3/h8-10,12,14H,4-7,11H2,1-3H3,(H,17,20)/t12-,14+/m0/s1
InChIKeyMATPWMVOQPKLAE-GXTWGEPZSA-N
MW355.46 g/mol
LogP0.79
Rot. Bonds5

About 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide

2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide (PubChem CID 7828917) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
PubChem CID7828917
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C16H25N3O4S/c1-12-6-4-5-7-14(12)17-15(20)11-19-10-13(8-9-16(19)21)24(22,23)18(2)3/h8-10,12,14H,4-7,11H2,1-3H3,(H,17,20)/t12-,14+/m0/s1
InChIKeyMATPWMVOQPKLAE-GXTWGEPZSA-N
XLogP0.79
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide (CID 7828917) is 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide is C[C@H]1CCCC[C@H]1NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O.
What is the InChIKey of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The InChIKey is MATPWMVOQPKLAE-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-12-6-4-5-7-14(12)17-15(20)11-19-10-13(8-9-16(19)21)24(22,23)18(2)3/h8-10,12,14H,4-7,11H2,1-3H3,(H,17,20)/t12-,14+/m0/s1.
What are the key properties of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide has a molecular weight of 355.46 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 7828917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).