2-(4-carbamothioylphenoxy)-N-phenylpropanamide

C16H16N2O2S — CID 43116878

IUPAC2-(4-carbamothioylphenoxy)-N-phenylpropanamide
SMILESCC(Oc1ccc(C(N)=S)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16N2O2S/c1-11(16(19)18-13-5-3-2-4-6-13)20-14-9-7-12(8-10-14)15(17)21/h2-11H,1H3,(H2,17,21)(H,18,19)
InChIKeyCDTIIERGVHYSGB-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.73
Rot. Bonds5

About 2-(4-carbamothioylphenoxy)-N-phenylpropanamide

2-(4-carbamothioylphenoxy)-N-phenylpropanamide (PubChem CID 43116878) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(4-carbamothioylphenoxy)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenoxy)-N-phenylpropanamide
PubChem CID43116878
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-(4-carbamothioylphenoxy)-N-phenylpropanamide
SMILESCC(Oc1ccc(C(N)=S)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16N2O2S/c1-11(16(19)18-13-5-3-2-4-6-13)20-14-9-7-12(8-10-14)15(17)21/h2-11H,1H3,(H2,17,21)(H,18,19)
InChIKeyCDTIIERGVHYSGB-UHFFFAOYSA-N
XLogP2.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.73
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

4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide
CID 1177972
2-(4-aminophenoxy)-N-phenylpropanamide
CID 43115954
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-phenylpropanamide
CID 78934009
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
4-[2-(4-methoxyphenoxy)propanoylamino]benzamide
CID 2952411
4-[[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]amino]benzamide
CID 2557704
butyl 4-[(2R)-1-anilino-1-oxopropan-2-yl]oxybenzoate
CID 7984457
methyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7667506
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]benzamide
CID 7816278

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenoxy)-N-phenylpropanamide?
The IUPAC name of 2-(4-carbamothioylphenoxy)-N-phenylpropanamide (CID 43116878) is 2-(4-carbamothioylphenoxy)-N-phenylpropanamide.
What is the SMILES notation for 2-(4-carbamothioylphenoxy)-N-phenylpropanamide?
The canonical SMILES for 2-(4-carbamothioylphenoxy)-N-phenylpropanamide is CC(Oc1ccc(C(N)=S)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(4-carbamothioylphenoxy)-N-phenylpropanamide?
The InChIKey is CDTIIERGVHYSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11(16(19)18-13-5-3-2-4-6-13)20-14-9-7-12(8-10-14)15(17)21/h2-11H,1H3,(H2,17,21)(H,18,19).
What are the key properties of 2-(4-carbamothioylphenoxy)-N-phenylpropanamide?
2-(4-carbamothioylphenoxy)-N-phenylpropanamide has a molecular weight of 300.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenoxy)-N-phenylpropanamide is sourced from PubChem (CID 43116878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).