3-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide

C14H17F3N2O3S — CID 109026520

IUPAC3-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCNC1CCS(=O)(=O)C1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O3S/c15-14(16,17)10-2-1-3-11(8-10)19-13(20)4-6-18-12-5-7-23(21,22)9-12/h1-3,8,12,18H,4-7,9H2,(H,19,20)
InChIKeyYEWOBNHJAHTYEV-UHFFFAOYSA-N
MW350.36 g/mol
LogP1.81
Rot. Bonds5

About 3-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide

3-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 109026520) has the molecular formula C14H17F3N2O3S and a molecular weight of 350.36 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID109026520
Molecular FormulaC14H17F3N2O3S
Molecular Weight350.36 g/mol
Exact Mass350.09
IUPAC Name3-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCNC1CCS(=O)(=O)C1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O3S/c15-14(16,17)10-2-1-3-11(8-10)19-13(20)4-6-18-12-5-7-23(21,22)9-12/h1-3,8,12,18H,4-7,9H2,(H,19,20)
InChIKeyYEWOBNHJAHTYEV-UHFFFAOYSA-N
XLogP1.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 39310298
(3R)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiolan-3-amine
CID 7116118
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9043709
3-[[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 40895078
1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-[3-(trifluoromethyl)phenyl]urea
CID 108989832
N-(2-bromophenyl)-3-[(1,1-dioxothiolan-3-yl)amino]propanamide
CID 109026542
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-[(3S)-1,1-dioxothiolan-3-yl]acetate
CID 8735303
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
4-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109214973
1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thian-4-amine
CID 43511458
3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3619896
1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiane-3-carboxamide
CID 110860856

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide (CID 109026520) is 3-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide is O=C(CCNC1CCS(=O)(=O)C1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is YEWOBNHJAHTYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3S/c15-14(16,17)10-2-1-3-11(8-10)19-13(20)4-6-18-12-5-7-23(21,22)9-12/h1-3,8,12,18H,4-7,9H2,(H,19,20).
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
3-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 350.36 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109026520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).