2-cyclobutyl-N-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]benzamide

C17H23NO4S — CID 138026265

IUPAC2-cyclobutyl-N-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCS(=O)(=O)CC1)c1ccccc1C1CCC1
InChIInChI=1S/C17H23NO4S/c19-16(15-7-2-1-6-14(15)13-4-3-5-13)18-12-17(20)8-10-23(21,22)11-9-17/h1-2,6-7,13,20H,3-5,8-12H2,(H,18,19)
InChIKeyHETSZHWVLUGCEF-UHFFFAOYSA-N
MW337.44 g/mol
LogP1.62
Rot. Bonds4

About 2-cyclobutyl-N-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]benzamide

2-cyclobutyl-N-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]benzamide (PubChem CID 138026265) has the molecular formula C17H23NO4S and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-cyclobutyl-N-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]benzamide
PubChem CID138026265
Molecular FormulaC17H23NO4S
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC Name2-cyclobutyl-N-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCS(=O)(=O)CC1)c1ccccc1C1CCC1
InChIInChI=1S/C17H23NO4S/c19-16(15-7-2-1-6-14(15)13-4-3-5-13)18-12-17(20)8-10-23(21,22)11-9-17/h1-2,6-7,13,20H,3-5,8-12H2,(H,18,19)
InChIKeyHETSZHWVLUGCEF-UHFFFAOYSA-N
XLogP1.62
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]benzamide?
The IUPAC name of 2-cyclobutyl-N-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]benzamide (CID 138026265) is 2-cyclobutyl-N-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]benzamide.
What is the SMILES notation for 2-cyclobutyl-N-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]benzamide?
The canonical SMILES for 2-cyclobutyl-N-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]benzamide is O=C(NCC1(O)CCS(=O)(=O)CC1)c1ccccc1C1CCC1.
What is the InChIKey of 2-cyclobutyl-N-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]benzamide?
The InChIKey is HETSZHWVLUGCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4S/c19-16(15-7-2-1-6-14(15)13-4-3-5-13)18-12-17(20)8-10-23(21,22)11-9-17/h1-2,6-7,13,20H,3-5,8-12H2,(H,18,19).
What are the key properties of 2-cyclobutyl-N-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]benzamide?
2-cyclobutyl-N-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]benzamide has a molecular weight of 337.44 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]benzamide is sourced from PubChem (CID 138026265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).