N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]acetamide

C11H14N2O2S — CID 17099993

IUPACN-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]acetamide
SMILESCCc1ccc(O)c(NC(=S)NC(C)=O)c1
InChIInChI=1S/C11H14N2O2S/c1-3-8-4-5-10(15)9(6-8)13-11(16)12-7(2)14/h4-6,15H,3H2,1-2H3,(H2,12,13,14,16)
InChIKeyGCJWCQBHHGNDQO-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.79
Rot. Bonds2

About N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]acetamide

N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]acetamide (PubChem CID 17099993) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound NameN-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]acetamide
PubChem CID17099993
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]acetamide
SMILESCCc1ccc(O)c(NC(=S)NC(C)=O)c1
InChIInChI=1S/C11H14N2O2S/c1-3-8-4-5-10(15)9(6-8)13-11(16)12-7(2)14/h4-6,15H,3H2,1-2H3,(H2,12,13,14,16)
InChIKeyGCJWCQBHHGNDQO-UHFFFAOYSA-N
XLogP1.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 21212588
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-iodobenzamide
CID 1344733
3-bromo-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]benzamide
CID 2205920
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-3-methylbenzamide
CID 884883
N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]acetamide
CID 17099998
N-[(2-hydroxyphenyl)carbamothioyl]acetamide
CID 13109787
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-nitrobenzamide
CID 23855649
N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-ethylbenzamide
CID 17099861
3,5-dibromo-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
CID 17113663
N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]acetamide
CID 17099992
2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide
CID 884329
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 22779251

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]acetamide?
The IUPAC name of N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]acetamide (CID 17099993) is N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]acetamide.
What is the SMILES notation for N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]acetamide?
The canonical SMILES for N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]acetamide is CCc1ccc(O)c(NC(=S)NC(C)=O)c1.
What is the InChIKey of N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]acetamide?
The InChIKey is GCJWCQBHHGNDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-3-8-4-5-10(15)9(6-8)13-11(16)12-7(2)14/h4-6,15H,3H2,1-2H3,(H2,12,13,14,16).
What are the key properties of N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]acetamide?
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]acetamide has a molecular weight of 238.31 g/mol, XLogP of 1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 17099993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).