N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-2-methylpropanamide

C14H20N2O2S — CID 17099665

IUPACN-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(=S)Nc1cc(C(C)C)ccc1O
InChIInChI=1S/C14H20N2O2S/c1-8(2)10-5-6-12(17)11(7-10)15-14(19)16-13(18)9(3)4/h5-9,17H,1-4H3,(H2,15,16,18,19)
InChIKeyMRVDZKVACOHRIC-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.98
Rot. Bonds3

About N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-2-methylpropanamide

N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-2-methylpropanamide (PubChem CID 17099665) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-2-methylpropanamide
PubChem CID17099665
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(=S)Nc1cc(C(C)C)ccc1O
InChIInChI=1S/C14H20N2O2S/c1-8(2)10-5-6-12(17)11(7-10)15-14(19)16-13(18)9(3)4/h5-9,17H,1-4H3,(H2,15,16,18,19)
InChIKeyMRVDZKVACOHRIC-UHFFFAOYSA-N
XLogP2.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.98
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

3-fluoro-N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]benzamide
CID 17099495
N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide
CID 2954096
N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]acetamide
CID 17099998
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 1345142
N-[(2,4-difluorophenyl)carbamothioyl]-2-methylpropanamide
CID 17099714
N-[[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]-2,4-dichlorobenzamide
CID 1227248
2-hydroxy-N-(2-hydroxy-5-propan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide
CID 166284434
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 21212588
3-[(2-hydroxy-5-propan-2-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 135632821
N-[[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]-2,4-dimethylbenzamide
CID 1396065
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]prop-2-enamide
CID 3681523
N-[[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]naphthalene-1-carboxamide
CID 1344927

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-2-methylpropanamide?
The IUPAC name of N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-2-methylpropanamide (CID 17099665) is N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-2-methylpropanamide?
The canonical SMILES for N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-2-methylpropanamide is CC(C)C(=O)NC(=S)Nc1cc(C(C)C)ccc1O.
What is the InChIKey of N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-2-methylpropanamide?
The InChIKey is MRVDZKVACOHRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-8(2)10-5-6-12(17)11(7-10)15-14(19)16-13(18)9(3)4/h5-9,17H,1-4H3,(H2,15,16,18,19).
What are the key properties of N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-2-methylpropanamide?
N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-2-methylpropanamide has a molecular weight of 280.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-2-methylpropanamide is sourced from PubChem (CID 17099665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).