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

C19H24N2O3S — CID 2906268

IUPAC1-butyl-1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea
SMILESCCCCN(C(=O)Nc1cccc2ccccc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H24N2O3S/c1-2-3-12-21(16-11-13-25(23,24)14-16)19(22)20-18-10-6-8-15-7-4-5-9-17(15)18/h4-10,16H,2-3,11-14H2,1H3,(H,20,22)
InChIKeyBFVFYIGIOGNSBS-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.66
Rot. Bonds5

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

1-butyl-1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea (PubChem CID 2906268) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-butyl-1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-butyl-1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea
PubChem CID2906268
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name1-butyl-1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea
SMILESCCCCN(C(=O)Nc1cccc2ccccc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H24N2O3S/c1-2-3-12-21(16-11-13-25(23,24)14-16)19(22)20-18-10-6-8-15-7-4-5-9-17(15)18/h4-10,16H,2-3,11-14H2,1H3,(H,20,22)
InChIKeyBFVFYIGIOGNSBS-UHFFFAOYSA-N
XLogP3.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Urea, N,N''-1,5-naphthalenediylbis[N',N'-dimethyl-
CID 99645
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-Naphthalenyl)-3-[3-(1-pyrrolidinyl)propyl]urea
CID 3237901
1-[5-Tert-butyl-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-3-naphthalen-1-ylurea
CID 11554629
N-1-naphthyl-3,6-dihydro-1(2H)-pyridinecarboxamide
CID 796892
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-1-(2-hydroxyethyl)-3-(naphthalen-1-yl)urea
CID 2906369
2-acetamido-4-(methylsulfonyl)-N-(naphthalen-1-yl)butanamide
CID 4155260
[(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
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

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-butyl-1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea (CID 2906268) is 1-butyl-1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-butyl-1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-butyl-1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea is CCCCN(C(=O)Nc1cccc2ccccc12)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-butyl-1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea?
The InChIKey is BFVFYIGIOGNSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-2-3-12-21(16-11-13-25(23,24)14-16)19(22)20-18-10-6-8-15-7-4-5-9-17(15)18/h4-10,16H,2-3,11-14H2,1H3,(H,20,22).
What are the key properties of 1-butyl-1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea?
1-butyl-1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea has a molecular weight of 360.48 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 2906268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).