N-[(2-butoxyphenyl)carbamothioyl]cyclopropanecarboxamide

C15H20N2O2S — CID 17087162

IUPACN-[(2-butoxyphenyl)carbamothioyl]cyclopropanecarboxamide
SMILESCCCCOc1ccccc1NC(=S)NC(=O)C1CC1
InChIInChI=1S/C15H20N2O2S/c1-2-3-10-19-13-7-5-4-6-12(13)16-15(20)17-14(18)11-8-9-11/h4-7,11H,2-3,8-10H2,1H3,(H2,16,17,18,20)
InChIKeyJKORJMUVOFDUQX-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.09
Rot. Bonds6

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

N-[(2-butoxyphenyl)carbamothioyl]cyclopropanecarboxamide (PubChem CID 17087162) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(2-butoxyphenyl)carbamothioyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-butoxyphenyl)carbamothioyl]cyclopropanecarboxamide
PubChem CID17087162
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[(2-butoxyphenyl)carbamothioyl]cyclopropanecarboxamide
SMILESCCCCOc1ccccc1NC(=S)NC(=O)C1CC1
InChIInChI=1S/C15H20N2O2S/c1-2-3-10-19-13-7-5-4-6-12(13)16-15(20)17-14(18)11-8-9-11/h4-7,11H,2-3,8-10H2,1H3,(H2,16,17,18,20)
InChIKeyJKORJMUVOFDUQX-UHFFFAOYSA-N
XLogP3.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]benzamide
CID 46761600
N-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 804772
N-[(2-butoxyphenyl)carbamothioyl]-4-phenoxybutanamide
CID 19188363
N-(2-butoxyphenyl)propanamide
CID 15943029
N-[(4-heptoxyphenyl)carbamothioyl]cyclopropanecarboxamide
CID 4951619
1,3-bis(2-butoxyphenyl)urea
CID 17170447
N-(2-butoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55906919
N-[(2-butoxyphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide
CID 17123102
2-butoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131066
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
2-butoxy-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]benzamide
CID 17113365
4-hexoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131060

Frequently Asked Questions

What is the IUPAC name of N-[(2-butoxyphenyl)carbamothioyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2-butoxyphenyl)carbamothioyl]cyclopropanecarboxamide (CID 17087162) is N-[(2-butoxyphenyl)carbamothioyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2-butoxyphenyl)carbamothioyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2-butoxyphenyl)carbamothioyl]cyclopropanecarboxamide is CCCCOc1ccccc1NC(=S)NC(=O)C1CC1.
What is the InChIKey of N-[(2-butoxyphenyl)carbamothioyl]cyclopropanecarboxamide?
The InChIKey is JKORJMUVOFDUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-2-3-10-19-13-7-5-4-6-12(13)16-15(20)17-14(18)11-8-9-11/h4-7,11H,2-3,8-10H2,1H3,(H2,16,17,18,20).
What are the key properties of N-[(2-butoxyphenyl)carbamothioyl]cyclopropanecarboxamide?
N-[(2-butoxyphenyl)carbamothioyl]cyclopropanecarboxamide has a molecular weight of 292.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butoxyphenyl)carbamothioyl]cyclopropanecarboxamide is sourced from PubChem (CID 17087162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).