N-(1,1-dioxothian-3-yl)-2-(3-hydroxyphenyl)acetamide

C13H17NO4S — CID 63921976

IUPACN-(1,1-dioxothian-3-yl)-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C13H17NO4S/c15-12-5-1-3-10(7-12)8-13(16)14-11-4-2-6-19(17,18)9-11/h1,3,5,7,11,15H,2,4,6,8-9H2,(H,14,16)
InChIKeyZOBUKJGPTDQSSP-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.63
Rot. Bonds3

About N-(1,1-dioxothian-3-yl)-2-(3-hydroxyphenyl)acetamide

N-(1,1-dioxothian-3-yl)-2-(3-hydroxyphenyl)acetamide (PubChem CID 63921976) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-2-(3-hydroxyphenyl)acetamide
PubChem CID63921976
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC NameN-(1,1-dioxothian-3-yl)-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C13H17NO4S/c15-12-5-1-3-10(7-12)8-13(16)14-11-4-2-6-19(17,18)9-11/h1,3,5,7,11,15H,2,4,6,8-9H2,(H,14,16)
InChIKeyZOBUKJGPTDQSSP-UHFFFAOYSA-N
XLogP0.63
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide
CID 51240347
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 95310508
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2-(3-hydroxyphenyl)acetamide
CID 118771156
2-(3-hydroxyphenyl)-N-(4-methylcycloheptyl)acetamide
CID 102809381
2-(3-hydroxyphenyl)-N-(thian-3-yl)acetamide
CID 115675030
N-(1,1-dioxothian-3-yl)-2,5-dihydroxybenzamide
CID 107723081
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 110673351
N-(1,1-dioxothian-3-yl)-4-hydroxybenzamide
CID 63921781
(2S)-2-amino-N-(1,1-dioxothian-3-yl)-4-phenylbutanamide
CID 104984424
2-(3-hydroxyphenyl)-N-(2-methylcyclopentyl)acetamide
CID 63279410
3-bromo-N-[(3R)-1,1-dioxothian-3-yl]benzamide
CID 95264332

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)-2-(3-hydroxyphenyl)acetamide (CID 63921976) is N-(1,1-dioxothian-3-yl)-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-2-(3-hydroxyphenyl)acetamide is O=C(Cc1cccc(O)c1)NC1CCCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-2-(3-hydroxyphenyl)acetamide?
The InChIKey is ZOBUKJGPTDQSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c15-12-5-1-3-10(7-12)8-13(16)14-11-4-2-6-19(17,18)9-11/h1,3,5,7,11,15H,2,4,6,8-9H2,(H,14,16).
What are the key properties of N-(1,1-dioxothian-3-yl)-2-(3-hydroxyphenyl)acetamide?
N-(1,1-dioxothian-3-yl)-2-(3-hydroxyphenyl)acetamide has a molecular weight of 283.35 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 63921976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).