1-(1,1-dioxothiolan-3-yl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea

C14H18N2O3S — CID 108907370

IUPAC1-(1,1-dioxothiolan-3-yl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
SMILESCc1ccc(/C=C/NC(=O)NC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C14H18N2O3S/c1-11-2-4-12(5-3-11)6-8-15-14(17)16-13-7-9-20(18,19)10-13/h2-6,8,13H,7,9-10H2,1H3,(H2,15,16,17)/b8-6+
InChIKeyBZRBNGXNAIZLKU-SOFGYWHQSA-N
MW294.38 g/mol
LogP1.45
Rot. Bonds3

About 1-(1,1-dioxothiolan-3-yl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea

1-(1,1-dioxothiolan-3-yl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea (PubChem CID 108907370) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
PubChem CID108907370
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
SMILESCc1ccc(/C=C/NC(=O)NC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C14H18N2O3S/c1-11-2-4-12(5-3-11)6-8-15-14(17)16-13-7-9-20(18,19)10-13/h2-6,8,13H,7,9-10H2,1H3,(H2,15,16,17)/b8-6+
InChIKeyBZRBNGXNAIZLKU-SOFGYWHQSA-N
XLogP1.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1,1-dioxothiolan-3-yl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea with MolForge

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Related Compounds

1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(1,1-dioxothiolan-3-yl)urea
CID 108908483
N-(1,1-dioxothiolan-3-yl)-3-(4-methylphenyl)prop-2-enamide
CID 3126681
1-(1,1-dioxothiolan-3-yl)-3-[(4-methylphenoxy)methyl]urea
CID 108892990
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-cyclopropylurea
CID 108908546
3-(4-bromophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
CID 47120345
3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
CID 3108456
(E)-3-(4-bromophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
CID 42890222
(E)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-phenylprop-2-enamide
CID 7064383
2-amino-N-(1,1-dioxothiolan-3-yl)-5-methylbenzamide
CID 62073959
N-(1,1-dioxothiolan-3-yl)-2-[3-(4-methylphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2923277
(E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-2-methylprop-2-enamide
CID 110298713

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea (CID 108907370) is 1-(1,1-dioxothiolan-3-yl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea is Cc1ccc(/C=C/NC(=O)NC2CCS(=O)(=O)C2)cc1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea?
The InChIKey is BZRBNGXNAIZLKU-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-11-2-4-12(5-3-11)6-8-15-14(17)16-13-7-9-20(18,19)10-13/h2-6,8,13H,7,9-10H2,1H3,(H2,15,16,17)/b8-6+.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea?
1-(1,1-dioxothiolan-3-yl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea has a molecular weight of 294.38 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea is sourced from PubChem (CID 108907370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).