2-[(2-ethylphenyl)carbamothioyl-methylamino]-N-(2-methoxyethyl)acetamide

C15H23N3O2S — CID 8560831

IUPAC2-[(2-ethylphenyl)carbamothioyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCCc1ccccc1NC(=S)N(C)CC(=O)NCCOC
InChIInChI=1S/C15H23N3O2S/c1-4-12-7-5-6-8-13(12)17-15(21)18(2)11-14(19)16-9-10-20-3/h5-8H,4,9-11H2,1-3H3,(H,16,19)(H,17,21)
InChIKeyJGXFCGMQDLZEGI-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.64
Rot. Bonds7

About 2-[(2-ethylphenyl)carbamothioyl-methylamino]-N-(2-methoxyethyl)acetamide

2-[(2-ethylphenyl)carbamothioyl-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 8560831) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)carbamothioyl-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(2-ethylphenyl)carbamothioyl-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID8560831
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name2-[(2-ethylphenyl)carbamothioyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCCc1ccccc1NC(=S)N(C)CC(=O)NCCOC
InChIInChI=1S/C15H23N3O2S/c1-4-12-7-5-6-8-13(12)17-15(21)18(2)11-14(19)16-9-10-20-3/h5-8H,4,9-11H2,1-3H3,(H,16,19)(H,17,21)
InChIKeyJGXFCGMQDLZEGI-UHFFFAOYSA-N
XLogP1.64
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.64
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

N-(2-ethylphenyl)-2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 46562912
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-2-(methylamino)benzamide
CID 61377669
2-(N-acetyl-2-ethylanilino)-N-(2-methoxyethyl)acetamide
CID 113169024
2-[[4-(difluoromethylsulfanyl)phenyl]carbamothioyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 8560795
2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methoxy-N-methylpropanamide
CID 120983235
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 17436271
1-N-(2-ethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109132991
2-[ethylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 47128037
N-(2-ethylphenyl)-2-[4-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetyl]piperazin-1-yl]acetamide
CID 55445521
N-(2-ethylphenyl)-2-[4-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8773380
1-(2-methoxyethyl)-3-(2-propylphenyl)thiourea
CID 115579636
2-(N-(3-amino-3-sulfanylidenepropyl)anilino)-N-(2-methoxyethyl)acetamide
CID 61487413

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenyl)carbamothioyl-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(2-ethylphenyl)carbamothioyl-methylamino]-N-(2-methoxyethyl)acetamide (CID 8560831) is 2-[(2-ethylphenyl)carbamothioyl-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(2-ethylphenyl)carbamothioyl-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(2-ethylphenyl)carbamothioyl-methylamino]-N-(2-methoxyethyl)acetamide is CCc1ccccc1NC(=S)N(C)CC(=O)NCCOC.
What is the InChIKey of 2-[(2-ethylphenyl)carbamothioyl-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is JGXFCGMQDLZEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-4-12-7-5-6-8-13(12)17-15(21)18(2)11-14(19)16-9-10-20-3/h5-8H,4,9-11H2,1-3H3,(H,16,19)(H,17,21).
What are the key properties of 2-[(2-ethylphenyl)carbamothioyl-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(2-ethylphenyl)carbamothioyl-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 309.44 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenyl)carbamothioyl-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 8560831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).