1-(1,1-dioxothiolan-3-yl)-3-naphthalen-2-ylurea

C15H16N2O3S — CID 3152358

IUPAC1-(1,1-dioxothiolan-3-yl)-3-naphthalen-2-ylurea
SMILESO=C(Nc1ccc2ccccc2c1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H16N2O3S/c18-15(17-14-7-8-21(19,20)10-14)16-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14H,7-8,10H2,(H2,16,17,18)
InChIKeyABRPLZLGWGPXKQ-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.15
Rot. Bonds2

About 1-(1,1-dioxothiolan-3-yl)-3-naphthalen-2-ylurea

1-(1,1-dioxothiolan-3-yl)-3-naphthalen-2-ylurea (PubChem CID 3152358) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-naphthalen-2-ylurea
PubChem CID3152358
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-naphthalen-2-ylurea
SMILESO=C(Nc1ccc2ccccc2c1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H16N2O3S/c18-15(17-14-7-8-21(19,20)10-14)16-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14H,7-8,10H2,(H2,16,17,18)
InChIKeyABRPLZLGWGPXKQ-UHFFFAOYSA-N
XLogP2.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1,1-dioxothiolan-3-yl)-3-naphthalen-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-{[(2-Naphthylamino)thioxomethyl]amino}thiolane-1,1-dione
CID 3559597
N-Cyclopropyl-2-(naphthalen-2-ylcarbamoylmethylsulfanyl)-acetamide
CID 575516
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-1-(2-hydroxyethyl)-3-(naphthalen-1-yl)urea
CID 2906369
[(1-hydroxy-3-methyl-1-oxothiolan-3-yl)amino]-N-naphthylcarboxamide
CID 2897256
1-(1,1-Dioxothiolan-3-yl)-3-(2-methylphenyl)urea
CID 2963355
N-[3-(butylthio)propyl]-N'-(3,4-dimethylphenyl)urea
CID 4205496
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-naphthalen-1-ylurea
CID 3146698
1-(3-Methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-naphthalen-2-ylthiourea
CID 3588389
1-Cyclohexyl-3-naphthalen-2-ylurea
CID 257402
N-{2-[(2-methylbenzyl)thio]ethyl}-N'-phenylurea
CID 2177883
1-[4-(Tert-butylsulfonylmethyl)phenyl]-3-propan-2-ylurea
CID 49631223
1-(3-Methylbutan-2-yl)-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea
CID 49632095

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-naphthalen-2-ylurea?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-naphthalen-2-ylurea (CID 3152358) is 1-(1,1-dioxothiolan-3-yl)-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-naphthalen-2-ylurea?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-naphthalen-2-ylurea is O=C(Nc1ccc2ccccc2c1)NC1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-naphthalen-2-ylurea?
The InChIKey is ABRPLZLGWGPXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-15(17-14-7-8-21(19,20)10-14)16-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14H,7-8,10H2,(H2,16,17,18).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-naphthalen-2-ylurea?
1-(1,1-dioxothiolan-3-yl)-3-naphthalen-2-ylurea has a molecular weight of 304.37 g/mol, XLogP of 2.15, 2 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-naphthalen-2-ylurea is sourced from PubChem (CID 3152358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).