1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(9H-fluoren-2-yl)urea

C20H22N2O3S — CID 131908673

IUPAC1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(9H-fluoren-2-yl)urea
SMILESCCN(C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H22N2O3S/c1-2-22(17-9-10-26(24,25)13-17)20(23)21-16-7-8-19-15(12-16)11-14-5-3-4-6-18(14)19/h3-8,12,17H,2,9-11,13H2,1H3,(H,21,23)
InChIKeyOKQLMHPHQAINBC-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.30
Rot. Bonds3

About 1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(9H-fluoren-2-yl)urea

1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(9H-fluoren-2-yl)urea (PubChem CID 131908673) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(9H-fluoren-2-yl)urea.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(9H-fluoren-2-yl)urea
PubChem CID131908673
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(9H-fluoren-2-yl)urea
SMILESCCN(C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H22N2O3S/c1-2-22(17-9-10-26(24,25)13-17)20(23)21-16-7-8-19-15(12-16)11-14-5-3-4-6-18(14)19/h3-8,12,17H,2,9-11,13H2,1H3,(H,21,23)
InChIKeyOKQLMHPHQAINBC-UHFFFAOYSA-N
XLogP3.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(9H-fluoren-2-ylamino)propanamide
CID 40820368
1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(4-fluorophenyl)urea
CID 108866926
1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-[3-(trifluoromethyl)phenyl]urea
CID 108989832
methyl 3-[[(1,1-dioxothiolan-3-yl)-ethylcarbamoyl]amino]benzoate
CID 108989837
1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(4-pyrrol-1-ylphenyl)urea
CID 108886793
1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872608
methyl 4-[[(1,1-dioxothiolan-3-yl)-ethylcarbamoyl]amino]benzoate
CID 108989838
3-(3,5-dimethoxyphenyl)-1-(1,1-dioxothiolan-3-yl)-1-ethylurea
CID 108869478
1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(6-phenoxy-3-pyridinyl)urea
CID 97454774
3-(2,6-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-1-ethylurea
CID 108989871
1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]urea
CID 125157042
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide
CID 125138754

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(9H-fluoren-2-yl)urea?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(9H-fluoren-2-yl)urea (CID 131908673) is 1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(9H-fluoren-2-yl)urea.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(9H-fluoren-2-yl)urea?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(9H-fluoren-2-yl)urea is CCN(C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(9H-fluoren-2-yl)urea?
The InChIKey is OKQLMHPHQAINBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-2-22(17-9-10-26(24,25)13-17)20(23)21-16-7-8-19-15(12-16)11-14-5-3-4-6-18(14)19/h3-8,12,17H,2,9-11,13H2,1H3,(H,21,23).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(9H-fluoren-2-yl)urea?
1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(9H-fluoren-2-yl)urea has a molecular weight of 370.47 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(9H-fluoren-2-yl)urea is sourced from PubChem (CID 131908673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).