N-(1,1-dioxothiolan-3-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

C14H17F3N2O6S2 — CID 56684941

IUPACN-(1,1-dioxothiolan-3-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H17F3N2O6S2/c15-14(16,17)25-11-1-3-12(4-2-11)27(23,24)18-7-5-13(20)19-10-6-8-26(21,22)9-10/h1-4,10,18H,5-9H2,(H,19,20)
InChIKeyWULDDDMNJLLWSJ-UHFFFAOYSA-N
MW430.43 g/mol
LogP0.56
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

N-(1,1-dioxothiolan-3-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (PubChem CID 56684941) has the molecular formula C14H17F3N2O6S2 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
PubChem CID56684941
Molecular FormulaC14H17F3N2O6S2
Molecular Weight430.43 g/mol
Exact Mass430.05
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H17F3N2O6S2/c15-14(16,17)25-11-1-3-12(4-2-11)27(23,24)18-7-5-13(20)19-10-6-8-26(21,22)9-10/h1-4,10,18H,5-9H2,(H,19,20)
InChIKeyWULDDDMNJLLWSJ-UHFFFAOYSA-N
XLogP0.56
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]propanamide
CID 47056370
N-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride
CID 119449677
N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 27648395
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110600977
methyl 4-[[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]amino]benzoate
CID 109026384
methyl N-[4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]phenyl]carbamate
CID 55855713
N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 40917372
N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 27658627
N-[(3R)-1,1-dioxothiolan-3-yl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 42581083
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 110295831
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55376416
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 24545871

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (CID 56684941) is N-(1,1-dioxothiolan-3-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The InChIKey is WULDDDMNJLLWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O6S2/c15-14(16,17)25-11-1-3-12(4-2-11)27(23,24)18-7-5-13(20)19-10-6-8-26(21,22)9-10/h1-4,10,18H,5-9H2,(H,19,20).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
N-(1,1-dioxothiolan-3-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide has a molecular weight of 430.43 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 56684941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).