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

C16H18N2O3S — CID 2897256

IUPAC1-(3-methyl-1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea
SMILESCC1(NC(=O)Nc2cccc3ccccc23)CCS(=O)(=O)C1
InChIInChI=1S/C16H18N2O3S/c1-16(9-10-22(20,21)11-16)18-15(19)17-14-8-4-6-12-5-2-3-7-13(12)14/h2-8H,9-11H2,1H3,(H2,17,18,19)
InChIKeyZBQDIAIUSDOVNB-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.54
Rot. Bonds2

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

1-(3-methyl-1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea (PubChem CID 2897256) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-(3-methyl-1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(3-methyl-1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea
PubChem CID2897256
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name1-(3-methyl-1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea
SMILESCC1(NC(=O)Nc2cccc3ccccc23)CCS(=O)(=O)C1
InChIInChI=1S/C16H18N2O3S/c1-16(9-10-22(20,21)11-16)18-15(19)17-14-8-4-6-12-5-2-3-7-13(12)14/h2-8H,9-11H2,1H3,(H2,17,18,19)
InChIKeyZBQDIAIUSDOVNB-UHFFFAOYSA-N
XLogP2.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-(3-methylphenyl)urea
CID 3152354
3-{[(2-Naphthylamino)thioxomethyl]amino}thiolane-1,1-dione
CID 3559597
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-naphthalen-2-ylurea
CID 3152358
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-1-(2-hydroxyethyl)-3-(naphthalen-1-yl)urea
CID 2906369
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
Urea, 1-tert-butyl-3-(1-naphthyl)-
CID 854306
N-[(4-methylphenyl)sulfonyl](naphthylamino)carboxamide
CID 2374251
1-Methylsulfonyl-3-(naphthalen-1-ylcarbamoyl)-1-propan-2-ylurea
CID 2324045
1-Butyl-1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(naphthalen-1-yl)urea
CID 2906268
Cambridge id 6413446
CID 4661884
4-(benzylsulfonyl)-N-(2,3-dimethylphenyl)butanamide
CID 41611953

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-(3-methyl-1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea (CID 2897256) is 1-(3-methyl-1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(3-methyl-1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(3-methyl-1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea is CC1(NC(=O)Nc2cccc3ccccc23)CCS(=O)(=O)C1.
What is the InChIKey of 1-(3-methyl-1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea?
The InChIKey is ZBQDIAIUSDOVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-16(9-10-22(20,21)11-16)18-15(19)17-14-8-4-6-12-5-2-3-7-13(12)14/h2-8H,9-11H2,1H3,(H2,17,18,19).
What are the key properties of 1-(3-methyl-1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea?
1-(3-methyl-1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea has a molecular weight of 318.40 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 2897256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).