N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]cyclopropanecarboxamide

C15H18N2O2S — CID 17122582

IUPACN-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]cyclopropanecarboxamide
SMILESC=C(C)COc1cccc(NC(=S)NC(=O)C2CC2)c1
InChIInChI=1S/C15H18N2O2S/c1-10(2)9-19-13-5-3-4-12(8-13)16-15(20)17-14(18)11-6-7-11/h3-5,8,11H,1,6-7,9H2,2H3,(H2,16,17,18,20)
InChIKeyUIZOJTYENNIUEF-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.86
Rot. Bonds5

About N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]cyclopropanecarboxamide

N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]cyclopropanecarboxamide (PubChem CID 17122582) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]cyclopropanecarboxamide
PubChem CID17122582
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]cyclopropanecarboxamide
SMILESC=C(C)COc1cccc(NC(=S)NC(=O)C2CC2)c1
InChIInChI=1S/C15H18N2O2S/c1-10(2)9-19-13-5-3-4-12(8-13)16-15(20)17-14(18)11-6-7-11/h3-5,8,11H,1,6-7,9H2,2H3,(H2,16,17,18,20)
InChIKeyUIZOJTYENNIUEF-UHFFFAOYSA-N
XLogP2.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]benzamide
CID 54791453
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
2-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide
CID 110015626
N-[(3-acetylphenyl)carbamothioyl]cyclopropanecarboxamide
CID 916714
N-[(3-phenylmethoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 17086173
N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17122622
4-heptoxy-N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]benzamide
CID 17122621
N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782363
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
N-[4-(2-methylprop-2-enoxy)phenyl]cyclopropanecarboxamide
CID 17097627
methyl 4-[[3-(2-methylprop-2-enoxy)phenyl]carbamoyl]benzoate
CID 17178302
1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea
CID 17122466

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]cyclopropanecarboxamide?
The IUPAC name of N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]cyclopropanecarboxamide (CID 17122582) is N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]cyclopropanecarboxamide is C=C(C)COc1cccc(NC(=S)NC(=O)C2CC2)c1.
What is the InChIKey of N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]cyclopropanecarboxamide?
The InChIKey is UIZOJTYENNIUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10(2)9-19-13-5-3-4-12(8-13)16-15(20)17-14(18)11-6-7-11/h3-5,8,11H,1,6-7,9H2,2H3,(H2,16,17,18,20).
What are the key properties of N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]cyclopropanecarboxamide?
N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]cyclopropanecarboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]cyclopropanecarboxamide is sourced from PubChem (CID 17122582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).