N-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfonylbutanamide

C16H20N2O5S — CID 154810812

IUPACN-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfonylbutanamide
SMILESCc1ccc(S(=O)(=O)CCCC(=O)NC2CCC(=O)NC2=O)cc1
InChIInChI=1S/C16H20N2O5S/c1-11-4-6-12(7-5-11)24(22,23)10-2-3-14(19)17-13-8-9-15(20)18-16(13)21/h4-7,13H,2-3,8-10H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyQHZUPTHWZBIWSU-UHFFFAOYSA-N
MW352.41 g/mol
LogP0.47
Rot. Bonds6

About N-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfonylbutanamide

N-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfonylbutanamide (PubChem CID 154810812) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfonylbutanamide
PubChem CID154810812
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfonylbutanamide
SMILESCc1ccc(S(=O)(=O)CCCC(=O)NC2CCC(=O)NC2=O)cc1
InChIInChI=1S/C16H20N2O5S/c1-11-4-6-12(7-5-11)24(22,23)10-2-3-14(19)17-13-8-9-15(20)18-16(13)21/h4-7,13H,2-3,8-10H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyQHZUPTHWZBIWSU-UHFFFAOYSA-N
XLogP0.47
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-4-ethylsulfonylbenzamide
CID 146124036
N-(2,6-dioxopiperidin-3-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 163850796
N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 12559254
N-(2,6-dioxopiperidin-3-yl)-3-(4-hydroxyphenyl)propanamide
CID 110483854
3-(4-methylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2467560
N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4Z)-hexa-2,4-dien-3-yl]sulfonylamino]propanamide
CID 170009871
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330
2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide
CID 110186635
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 95988791
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2,6-dioxopiperidin-3-yl)propanamide
CID 127622650
N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110463382
2-(2-tert-butyl-4-methylphenoxy)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 154810739

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfonylbutanamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfonylbutanamide (CID 154810812) is N-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfonylbutanamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfonylbutanamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfonylbutanamide is Cc1ccc(S(=O)(=O)CCCC(=O)NC2CCC(=O)NC2=O)cc1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfonylbutanamide?
The InChIKey is QHZUPTHWZBIWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-11-4-6-12(7-5-11)24(22,23)10-2-3-14(19)17-13-8-9-15(20)18-16(13)21/h4-7,13H,2-3,8-10H2,1H3,(H,17,19)(H,18,20,21).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfonylbutanamide?
N-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfonylbutanamide has a molecular weight of 352.41 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfonylbutanamide is sourced from PubChem (CID 154810812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).