1-[[2-(7-methoxynaphthalen-2-yl)oxyacetyl]amino]-3-methylthiourea

C15H17N3O3S — CID 171665813

IUPAC1-[[2-(7-methoxynaphthalen-2-yl)oxyacetyl]amino]-3-methylthiourea
SMILESCNC(=S)NNC(=O)COc1ccc2ccc(OC)cc2c1
InChIInChI=1S/C15H17N3O3S/c1-16-15(22)18-17-14(19)9-21-13-6-4-10-3-5-12(20-2)7-11(10)8-13/h3-8H,9H2,1-2H3,(H,17,19)(H2,16,18,22)
InChIKeyVVGMKWGYFLYKJS-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.35
Rot. Bonds4

About 1-[[2-(7-methoxynaphthalen-2-yl)oxyacetyl]amino]-3-methylthiourea

1-[[2-(7-methoxynaphthalen-2-yl)oxyacetyl]amino]-3-methylthiourea (PubChem CID 171665813) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-[[2-(7-methoxynaphthalen-2-yl)oxyacetyl]amino]-3-methylthiourea.

Molecular Properties

Compound Name1-[[2-(7-methoxynaphthalen-2-yl)oxyacetyl]amino]-3-methylthiourea
PubChem CID171665813
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name1-[[2-(7-methoxynaphthalen-2-yl)oxyacetyl]amino]-3-methylthiourea
SMILESCNC(=S)NNC(=O)COc1ccc2ccc(OC)cc2c1
InChIInChI=1S/C15H17N3O3S/c1-16-15(22)18-17-14(19)9-21-13-6-4-10-3-5-12(20-2)7-11(10)8-13/h3-8H,9H2,1-2H3,(H,17,19)(H2,16,18,22)
InChIKeyVVGMKWGYFLYKJS-UHFFFAOYSA-N
XLogP1.35
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(7-methoxynaphthalen-2-yl)oxyacetate
CID 156858982
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616
N-butyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652513
N-(3,5-dimethylphenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652726
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide
CID 3303798
N-(2,5-dimethylphenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652754
N-(3-chlorophenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652748
N-[4-(acetylcarbamothioylamino)phenyl]-2-naphthalen-2-yloxyacetamide
CID 5229884
2-(7-methoxynaphthalen-2-yl)oxy-N-[(2-methoxyphenyl)methyl]acetamide
CID 7652672
1-(4-fluorophenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]thiourea
CID 3490888
N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 3307662

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(7-methoxynaphthalen-2-yl)oxyacetyl]amino]-3-methylthiourea?
The IUPAC name of 1-[[2-(7-methoxynaphthalen-2-yl)oxyacetyl]amino]-3-methylthiourea (CID 171665813) is 1-[[2-(7-methoxynaphthalen-2-yl)oxyacetyl]amino]-3-methylthiourea.
What is the SMILES notation for 1-[[2-(7-methoxynaphthalen-2-yl)oxyacetyl]amino]-3-methylthiourea?
The canonical SMILES for 1-[[2-(7-methoxynaphthalen-2-yl)oxyacetyl]amino]-3-methylthiourea is CNC(=S)NNC(=O)COc1ccc2ccc(OC)cc2c1.
What is the InChIKey of 1-[[2-(7-methoxynaphthalen-2-yl)oxyacetyl]amino]-3-methylthiourea?
The InChIKey is VVGMKWGYFLYKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-16-15(22)18-17-14(19)9-21-13-6-4-10-3-5-12(20-2)7-11(10)8-13/h3-8H,9H2,1-2H3,(H,17,19)(H2,16,18,22).
What are the key properties of 1-[[2-(7-methoxynaphthalen-2-yl)oxyacetyl]amino]-3-methylthiourea?
1-[[2-(7-methoxynaphthalen-2-yl)oxyacetyl]amino]-3-methylthiourea has a molecular weight of 319.39 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(7-methoxynaphthalen-2-yl)oxyacetyl]amino]-3-methylthiourea is sourced from PubChem (CID 171665813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).