N-[(2-ethoxyphenyl)carbamothioyl]cyclopropanecarboxamide

C13H16N2O2S — CID 1226912

IUPACN-[(2-ethoxyphenyl)carbamothioyl]cyclopropanecarboxamide
SMILESCCOc1ccccc1NC(=S)NC(=O)C1CC1
InChIInChI=1S/C13H16N2O2S/c1-2-17-11-6-4-3-5-10(11)14-13(18)15-12(16)9-7-8-9/h3-6,9H,2,7-8H2,1H3,(H2,14,15,16,18)
InChIKeyJTQRQEIOJGAXEW-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.31
Rot. Bonds4

About N-[(2-ethoxyphenyl)carbamothioyl]cyclopropanecarboxamide

N-[(2-ethoxyphenyl)carbamothioyl]cyclopropanecarboxamide (PubChem CID 1226912) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)carbamothioyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)carbamothioyl]cyclopropanecarboxamide
PubChem CID1226912
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-[(2-ethoxyphenyl)carbamothioyl]cyclopropanecarboxamide
SMILESCCOc1ccccc1NC(=S)NC(=O)C1CC1
InChIInChI=1S/C13H16N2O2S/c1-2-17-11-6-4-3-5-10(11)14-13(18)15-12(16)9-7-8-9/h3-6,9H,2,7-8H2,1H3,(H2,14,15,16,18)
InChIKeyJTQRQEIOJGAXEW-UHFFFAOYSA-N
XLogP2.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 722774
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N-(anilinocarbonothioyl)-4-phenoxybutanamide
CID 1572907
1-(2-Ethoxy-phenyl)-pyrimidine-2,4,6-trione
CID 2049905
N-(2-methoxyphenyl)-3,3-dimethyl-2-oxoazetidine-1-carbothioamide
CID 2800763
N-[3-[(2-ethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6469092
5-Butyl-1-(2-ethoxyphenyl)-1,3,5-triazinane-2-thione
CID 1856930
1-(2-Methoxyphenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 2910234
4-Amino-3-(2-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 3571647
1-(2-methoxyphenyl)-5-methyl-2-thioxotetrahydro-4(1H)-pyrimidinone
CID 4600955

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)carbamothioyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)carbamothioyl]cyclopropanecarboxamide (CID 1226912) is N-[(2-ethoxyphenyl)carbamothioyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)carbamothioyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)carbamothioyl]cyclopropanecarboxamide is CCOc1ccccc1NC(=S)NC(=O)C1CC1.
What is the InChIKey of N-[(2-ethoxyphenyl)carbamothioyl]cyclopropanecarboxamide?
The InChIKey is JTQRQEIOJGAXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-2-17-11-6-4-3-5-10(11)14-13(18)15-12(16)9-7-8-9/h3-6,9H,2,7-8H2,1H3,(H2,14,15,16,18).
What are the key properties of N-[(2-ethoxyphenyl)carbamothioyl]cyclopropanecarboxamide?
N-[(2-ethoxyphenyl)carbamothioyl]cyclopropanecarboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)carbamothioyl]cyclopropanecarboxamide is sourced from PubChem (CID 1226912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).