2-[(1,1-dioxothian-4-yl)amino]-N-(3-fluorophenyl)acetamide

C13H17FN2O3S — CID 43615218

IUPAC2-[(1,1-dioxothian-4-yl)amino]-N-(3-fluorophenyl)acetamide
SMILESO=C(CNC1CCS(=O)(=O)CC1)Nc1cccc(F)c1
InChIInChI=1S/C13H17FN2O3S/c14-10-2-1-3-12(8-10)16-13(17)9-15-11-4-6-20(18,19)7-5-11/h1-3,8,11,15H,4-7,9H2,(H,16,17)
InChIKeyZTWIPJGQNPBRLH-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.93
Rot. Bonds4

About 2-[(1,1-dioxothian-4-yl)amino]-N-(3-fluorophenyl)acetamide

2-[(1,1-dioxothian-4-yl)amino]-N-(3-fluorophenyl)acetamide (PubChem CID 43615218) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[(1,1-dioxothian-4-yl)amino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothian-4-yl)amino]-N-(3-fluorophenyl)acetamide
PubChem CID43615218
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name2-[(1,1-dioxothian-4-yl)amino]-N-(3-fluorophenyl)acetamide
SMILESO=C(CNC1CCS(=O)(=O)CC1)Nc1cccc(F)c1
InChIInChI=1S/C13H17FN2O3S/c14-10-2-1-3-12(8-10)16-13(17)9-15-11-4-6-20(18,19)7-5-11/h1-3,8,11,15H,4-7,9H2,(H,16,17)
InChIKeyZTWIPJGQNPBRLH-UHFFFAOYSA-N
XLogP0.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-[(3-methylcyclohexyl)amino]acetamide
CID 43317890
3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 63044439
N-(4-chlorophenyl)-2-[(1,1-dioxothian-4-yl)amino]acetamide
CID 43615220
2-[(3,3-dimethylcyclohexyl)amino]-N-(3-fluorophenyl)acetamide
CID 81421882
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
N-[3-(carbamoylamino)phenyl]-2-(cyclopropylamino)acetamide
CID 60843404
N'-(1,1-dioxothiolan-3-yl)-N-(3-fluorophenyl)-N'-methylpropanediamide
CID 108949267
2-(cyclobutylmethylamino)-N-(3-fluorophenyl)acetamide
CID 43298672
2-(cyclopentylamino)-N-(3,5-difluorophenyl)acetamide
CID 60703396
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 772128
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 772134
2-(cyclopropylamino)-N-(3,4-difluorophenyl)acetamide
CID 60647201

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothian-4-yl)amino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(1,1-dioxothian-4-yl)amino]-N-(3-fluorophenyl)acetamide (CID 43615218) is 2-[(1,1-dioxothian-4-yl)amino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(1,1-dioxothian-4-yl)amino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(1,1-dioxothian-4-yl)amino]-N-(3-fluorophenyl)acetamide is O=C(CNC1CCS(=O)(=O)CC1)Nc1cccc(F)c1.
What is the InChIKey of 2-[(1,1-dioxothian-4-yl)amino]-N-(3-fluorophenyl)acetamide?
The InChIKey is ZTWIPJGQNPBRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c14-10-2-1-3-12(8-10)16-13(17)9-15-11-4-6-20(18,19)7-5-11/h1-3,8,11,15H,4-7,9H2,(H,16,17).
What are the key properties of 2-[(1,1-dioxothian-4-yl)amino]-N-(3-fluorophenyl)acetamide?
2-[(1,1-dioxothian-4-yl)amino]-N-(3-fluorophenyl)acetamide has a molecular weight of 300.35 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothian-4-yl)amino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 43615218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).