2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-N-(4-sulfamoylphenyl)acetamide

C16H20N2O5S — CID 649251

IUPAC2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESCC1(C)CC(=O)C(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)=C(O)C1
InChIInChI=1S/C16H20N2O5S/c1-16(2)8-13(19)12(14(20)9-16)7-15(21)18-10-3-5-11(6-4-10)24(17,22)23/h3-6,19H,7-9H2,1-2H3,(H,18,21)(H2,17,22,23)
InChIKeyBUSFEWHILMBOET-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.86
Rot. Bonds4

About 2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-N-(4-sulfamoylphenyl)acetamide

2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-N-(4-sulfamoylphenyl)acetamide (PubChem CID 649251) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-N-(4-sulfamoylphenyl)acetamide
PubChem CID649251
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESCC1(C)CC(=O)C(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)=C(O)C1
InChIInChI=1S/C16H20N2O5S/c1-16(2)8-13(19)12(14(20)9-16)7-15(21)18-10-3-5-11(6-4-10)24(17,22)23/h3-6,19H,7-9H2,1-2H3,(H,18,21)(H2,17,22,23)
InChIKeyBUSFEWHILMBOET-UHFFFAOYSA-N
XLogP1.86
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 1272803
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CID 3824387
CID 3824387
CID 38029524
CID 38029524
CID 4123428
CID 4123428
CID 1272807
CID 1272807
CID 3498184
CID 3498184
CID 4385173
CID 4385173
CID 22982240
CID 22982240
CID 58716020
CID 58716020

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-N-(4-sulfamoylphenyl)acetamide (CID 649251) is 2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-N-(4-sulfamoylphenyl)acetamide is CC1(C)CC(=O)C(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)=C(O)C1.
What is the InChIKey of 2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is BUSFEWHILMBOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-16(2)8-13(19)12(14(20)9-16)7-15(21)18-10-3-5-11(6-4-10)24(17,22)23/h3-6,19H,7-9H2,1-2H3,(H,18,21)(H2,17,22,23).
What are the key properties of 2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-N-(4-sulfamoylphenyl)acetamide?
2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 352.41 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 649251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).