N-[3-[[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]phenyl]acetamide

C12H16N2O4S — CID 6987651

IUPACN-[3-[[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N[C@H]2CS(=O)(=O)C[C@H]2O)c1
InChIInChI=1S/C12H16N2O4S/c1-8(15)13-9-3-2-4-10(5-9)14-11-6-19(17,18)7-12(11)16/h2-5,11-12,14,16H,6-7H2,1H3,(H,13,15)/t11-,12+/m0/s1
InChIKeyGBVBKVXKTRWFOS-NWDGAFQWSA-N
MW284.34 g/mol
LogP0.21
Rot. Bonds3

About N-[3-[[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]phenyl]acetamide

N-[3-[[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]phenyl]acetamide (PubChem CID 6987651) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[3-[[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]phenyl]acetamide
PubChem CID6987651
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-[3-[[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N[C@H]2CS(=O)(=O)C[C@H]2O)c1
InChIInChI=1S/C12H16N2O4S/c1-8(15)13-9-3-2-4-10(5-9)14-11-6-19(17,18)7-12(11)16/h2-5,11-12,14,16H,6-7H2,1H3,(H,13,15)/t11-,12+/m0/s1
InChIKeyGBVBKVXKTRWFOS-NWDGAFQWSA-N
XLogP0.21
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-4-(3-hydroxyanilino)-1,1-dioxothiolan-3-ol
CID 7058971
N-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide
CID 24704399
N-[3-(cyclopropylamino)phenyl]acetamide
CID 45119286
N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]acetamide
CID 61309519
N-(3-acetamidophenyl)-1,1-dioxothiolane-3-carboxamide
CID 18089391
ethyl 4-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]benzoate
CID 6556767
N-(3-acetamidophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824444
N-(3-acetamidophenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-methyloxamide
CID 108526481
acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide
CID 174839462
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
(3S,4R)-4-(2-chloroanilino)-1,1-dioxothiolan-3-ol
CID 2435929
N-[3-[(2,2-dimethylcyclopentyl)amino]phenyl]acetamide
CID 79864740

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]phenyl]acetamide (CID 6987651) is N-[3-[[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(N[C@H]2CS(=O)(=O)C[C@H]2O)c1.
What is the InChIKey of N-[3-[[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]phenyl]acetamide?
The InChIKey is GBVBKVXKTRWFOS-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-8(15)13-9-3-2-4-10(5-9)14-11-6-19(17,18)7-12(11)16/h2-5,11-12,14,16H,6-7H2,1H3,(H,13,15)/t11-,12+/m0/s1.
What are the key properties of N-[3-[[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]phenyl]acetamide?
N-[3-[[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]phenyl]acetamide has a molecular weight of 284.34 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 6987651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).