N-(cyclohexylcarbamothioyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

C19H28N2O2S — CID 19188061

IUPACN-(cyclohexylcarbamothioyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)NC(=S)NC2CCCCC2)ccc1C(C)C
InChIInChI=1S/C19H28N2O2S/c1-13(2)17-10-9-16(11-14(17)3)23-12-18(22)21-19(24)20-15-7-5-4-6-8-15/h9-11,13,15H,4-8,12H2,1-3H3,(H2,20,21,22,24)
InChIKeyNVPPFGXMJABCFE-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.82
Rot. Bonds5

About N-(cyclohexylcarbamothioyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

N-(cyclohexylcarbamothioyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (PubChem CID 19188061) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-(cyclohexylcarbamothioyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamothioyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
PubChem CID19188061
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-(cyclohexylcarbamothioyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)NC(=S)NC2CCCCC2)ccc1C(C)C
InChIInChI=1S/C19H28N2O2S/c1-13(2)17-10-9-16(11-14(17)3)23-12-18(22)21-19(24)20-15-7-5-4-6-8-15/h9-11,13,15H,4-8,12H2,1-3H3,(H2,20,21,22,24)
InChIKeyNVPPFGXMJABCFE-UHFFFAOYSA-N
XLogP3.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.82
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

N-cyclopentyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 134007945
N-cyclopropyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78759925
N-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 19188194
N-(4-methylpiperidine-1-carbothioyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19188067
N-(cyclohexylcarbamoyl)-2-(3,4-dimethylphenoxy)acetamide
CID 7610559
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-methyl-6-propan-2-ylphenyl)carbamothioyl]acetamide
CID 19188088
1-cyclohexyl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]thiourea
CID 1181912
N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19188150
N-(1-hydroxypropan-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78857319
N-(cyclohexylcarbamoyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 7707104
2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41099396
N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 51130240

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamothioyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(cyclohexylcarbamothioyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (CID 19188061) is N-(cyclohexylcarbamothioyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(cyclohexylcarbamothioyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(cyclohexylcarbamothioyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is Cc1cc(OCC(=O)NC(=S)NC2CCCCC2)ccc1C(C)C.
What is the InChIKey of N-(cyclohexylcarbamothioyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The InChIKey is NVPPFGXMJABCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-13(2)17-10-9-16(11-14(17)3)23-12-18(22)21-19(24)20-15-7-5-4-6-8-15/h9-11,13,15H,4-8,12H2,1-3H3,(H2,20,21,22,24).
What are the key properties of N-(cyclohexylcarbamothioyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
N-(cyclohexylcarbamothioyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide has a molecular weight of 348.51 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamothioyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 19188061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).