2-(4-carbamothioylphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide

C16H24N2O2S — CID 63589281

IUPAC2-(4-carbamothioylphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
SMILESCOCCN(CC(C)C)C(=O)Cc1ccc(C(N)=S)cc1
InChIInChI=1S/C16H24N2O2S/c1-12(2)11-18(8-9-20-3)15(19)10-13-4-6-14(7-5-13)16(17)21/h4-7,12H,8-11H2,1-3H3,(H2,17,21)
InChIKeyKOVPLUXRBIZGPY-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.99
Rot. Bonds8

About 2-(4-carbamothioylphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide

2-(4-carbamothioylphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide (PubChem CID 63589281) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(4-carbamothioylphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
PubChem CID63589281
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-(4-carbamothioylphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
SMILESCOCCN(CC(C)C)C(=O)Cc1ccc(C(N)=S)cc1
InChIInChI=1S/C16H24N2O2S/c1-12(2)11-18(8-9-20-3)15(19)10-13-4-6-14(7-5-13)16(17)21/h4-7,12H,8-11H2,1-3H3,(H2,17,21)
InChIKeyKOVPLUXRBIZGPY-UHFFFAOYSA-N
XLogP1.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 54906294
2-(4-carbamothioylphenyl)-N,N-bis(2-hydroxyethyl)acetamide
CID 63591239
4-carbamothioyl-N,N-bis(2-methylpropyl)benzamide
CID 61378658
4-[[2-methoxyethyl(methyl)amino]methyl]benzenecarbothioamide
CID 61427647
2-(4-carbamothioylphenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide
CID 63611510
2-(2-chlorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 78853411
N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 78853346
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide
CID 78876109
methyl 4-[2-methoxyethyl(2-methylpropyl)carbamoyl]benzoate
CID 134059038
2-(4-carbamothioylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551988
4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 78884888
4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-3-methylbenzenecarbothioamide
CID 114481829

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-carbamothioylphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide (CID 63589281) is 2-(4-carbamothioylphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-carbamothioylphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide is COCCN(CC(C)C)C(=O)Cc1ccc(C(N)=S)cc1.
What is the InChIKey of 2-(4-carbamothioylphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide?
The InChIKey is KOVPLUXRBIZGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12(2)11-18(8-9-20-3)15(19)10-13-4-6-14(7-5-13)16(17)21/h4-7,12H,8-11H2,1-3H3,(H2,17,21).
What are the key properties of 2-(4-carbamothioylphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide?
2-(4-carbamothioylphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide has a molecular weight of 308.45 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 63589281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).