N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)propanamide

C19H21NO5S — CID 18837889

IUPACN-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)propanamide
SMILESCC(Oc1ccc(Oc2ccccc2)cc1)C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C19H21NO5S/c1-14(19(21)20-15-11-12-26(22,23)13-15)24-17-7-9-18(10-8-17)25-16-5-3-2-4-6-16/h2-10,14-15H,11-13H2,1H3,(H,20,21)
InChIKeyPDLCBCGLGAKJNQ-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.55
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)propanamide

N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)propanamide (PubChem CID 18837889) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)propanamide
PubChem CID18837889
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)propanamide
SMILESCC(Oc1ccc(Oc2ccccc2)cc1)C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C19H21NO5S/c1-14(19(21)20-15-11-12-26(22,23)13-15)24-17-7-9-18(10-8-17)25-16-5-3-2-4-6-16/h2-10,14-15H,11-13H2,1H3,(H,20,21)
InChIKeyPDLCBCGLGAKJNQ-UHFFFAOYSA-N
XLogP2.55
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-(4-phenoxyphenoxy)propanamide
CID 4793506
(2R)-2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 27015562
methyl 3-[(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl]oxybenzoate
CID 8639967
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanamide
CID 25387415
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenoxy)propanamide
CID 2908716
2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 46581771
[(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 8737842
dimethyl 5-[(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl]oxybenzene-1,3-dicarboxylate
CID 8740551
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384208
(2S)-2-(2,3-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 1306688
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
1-(1,1-dioxothiolan-3-yl)-3-(4-phenoxyphenyl)thiourea
CID 4968946

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)propanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)propanamide (CID 18837889) is N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)propanamide is CC(Oc1ccc(Oc2ccccc2)cc1)C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)propanamide?
The InChIKey is PDLCBCGLGAKJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-14(19(21)20-15-11-12-26(22,23)13-15)24-17-7-9-18(10-8-17)25-16-5-3-2-4-6-16/h2-10,14-15H,11-13H2,1H3,(H,20,21).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)propanamide?
N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)propanamide has a molecular weight of 375.45 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)propanamide is sourced from PubChem (CID 18837889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).