2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-methyl-6-propan-2-ylphenyl)carbamothioyl]acetamide

C23H30N2O2S — CID 19188088

IUPAC2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-methyl-6-propan-2-ylphenyl)carbamothioyl]acetamide
SMILESCc1cc(OCC(=O)NC(=S)Nc2c(C)cccc2C(C)C)ccc1C(C)C
InChIInChI=1S/C23H30N2O2S/c1-14(2)19-11-10-18(12-17(19)6)27-13-21(26)24-23(28)25-22-16(5)8-7-9-20(22)15(3)4/h7-12,14-15H,13H2,1-6H3,(H2,24,25,26,28)
InChIKeyNPQBZQARNZJOLW-UHFFFAOYSA-N
MW398.57 g/mol
LogP5.44
Rot. Bonds6

About 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-methyl-6-propan-2-ylphenyl)carbamothioyl]acetamide

2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-methyl-6-propan-2-ylphenyl)carbamothioyl]acetamide (PubChem CID 19188088) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-methyl-6-propan-2-ylphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-methyl-6-propan-2-ylphenyl)carbamothioyl]acetamide
PubChem CID19188088
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC Name2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-methyl-6-propan-2-ylphenyl)carbamothioyl]acetamide
SMILESCc1cc(OCC(=O)NC(=S)Nc2c(C)cccc2C(C)C)ccc1C(C)C
InChIInChI=1S/C23H30N2O2S/c1-14(2)19-11-10-18(12-17(19)6)27-13-21(26)24-23(28)25-22-16(5)8-7-9-20(22)15(3)4/h7-12,14-15H,13H2,1-6H3,(H2,24,25,26,28)
InChIKeyNPQBZQARNZJOLW-UHFFFAOYSA-N
XLogP5.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.57
LogP ≤ 55.44
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-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19188150
2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 19203579
2-(4-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7688543
1-(2,3-dimethylphenyl)-3-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]thiourea
CID 26825662
N-(cyclohexylcarbamothioyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19188061
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175939
1-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylthiourea
CID 3303473
methyl 4-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzoate
CID 7667630
N-(3-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 729999
N-(2-methyl-6-propan-2-ylphenyl)-2-(4-phenylphenoxy)acetamide
CID 7790431
2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-2-pyridinyl)acetamide
CID 27896918
N-(1-hydroxypropan-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78857319

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-methyl-6-propan-2-ylphenyl)carbamothioyl]acetamide?
The IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-methyl-6-propan-2-ylphenyl)carbamothioyl]acetamide (CID 19188088) is 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-methyl-6-propan-2-ylphenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-methyl-6-propan-2-ylphenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-methyl-6-propan-2-ylphenyl)carbamothioyl]acetamide is Cc1cc(OCC(=O)NC(=S)Nc2c(C)cccc2C(C)C)ccc1C(C)C.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-methyl-6-propan-2-ylphenyl)carbamothioyl]acetamide?
The InChIKey is NPQBZQARNZJOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2S/c1-14(2)19-11-10-18(12-17(19)6)27-13-21(26)24-23(28)25-22-16(5)8-7-9-20(22)15(3)4/h7-12,14-15H,13H2,1-6H3,(H2,24,25,26,28).
What are the key properties of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-methyl-6-propan-2-ylphenyl)carbamothioyl]acetamide?
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-methyl-6-propan-2-ylphenyl)carbamothioyl]acetamide has a molecular weight of 398.57 g/mol, XLogP of 5.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-methyl-6-propan-2-ylphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 19188088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).