[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate

C18H23NO5S — CID 18777490

IUPAC[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2)CCCC1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C18H23NO5S/c20-16(19-15-8-11-25(22,23)13-15)12-24-17(21)18(9-4-5-10-18)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,19,20)
InChIKeyNZBJYGSZUSDUFZ-UHFFFAOYSA-N
MW365.45 g/mol
LogP1.34
Rot. Bonds5

About [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate

[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate (PubChem CID 18777490) has the molecular formula C18H23NO5S and a molecular weight of 365.45 g/mol. Its IUPAC name is [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
PubChem CID18777490
Molecular FormulaC18H23NO5S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC Name[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2)CCCC1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C18H23NO5S/c20-16(19-15-8-11-25(22,23)13-15)12-24-17(21)18(9-4-5-10-18)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,19,20)
InChIKeyNZBJYGSZUSDUFZ-UHFFFAOYSA-N
XLogP1.34
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]hydrazinyl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8559345
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 7455369
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7749912
[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate
CID 55442785
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-bromobenzoate
CID 6601193
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
2-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzoic acid
CID 43214296
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703857
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-phenoxybenzoate
CID 2646618
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 7843532
[2-(cyclopentylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661548
[2-(cycloheptylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 23932612

Frequently Asked Questions

What is the IUPAC name of [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
The IUPAC name of [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate (CID 18777490) is [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate.
What is the SMILES notation for [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
The canonical SMILES for [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate is O=C(COC(=O)C1(c2ccccc2)CCCC1)NC1CCS(=O)(=O)C1.
What is the InChIKey of [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
The InChIKey is NZBJYGSZUSDUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5S/c20-16(19-15-8-11-25(22,23)13-15)12-24-17(21)18(9-4-5-10-18)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,19,20).
What are the key properties of [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate has a molecular weight of 365.45 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate is sourced from PubChem (CID 18777490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).