N-[2-(2-carbamothioyl-4-methylphenoxy)phenyl]acetamide

C16H16N2O2S — CID 107929518

IUPACN-[2-(2-carbamothioyl-4-methylphenoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1ccc(C)cc1C(N)=S
InChIInChI=1S/C16H16N2O2S/c1-10-7-8-14(12(9-10)16(17)21)20-15-6-4-3-5-13(15)18-11(2)19/h3-9H,1-2H3,(H2,17,21)(H,18,19)
InChIKeyMATWITOGGPPCTK-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.38
Rot. Bonds4

About N-[2-(2-carbamothioyl-4-methylphenoxy)phenyl]acetamide

N-[2-(2-carbamothioyl-4-methylphenoxy)phenyl]acetamide (PubChem CID 107929518) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-(2-carbamothioyl-4-methylphenoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-carbamothioyl-4-methylphenoxy)phenyl]acetamide
PubChem CID107929518
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[2-(2-carbamothioyl-4-methylphenoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1ccc(C)cc1C(N)=S
InChIInChI=1S/C16H16N2O2S/c1-10-7-8-14(12(9-10)16(17)21)20-15-6-4-3-5-13(15)18-11(2)19/h3-9H,1-2H3,(H2,17,21)(H,18,19)
InChIKeyMATWITOGGPPCTK-UHFFFAOYSA-N
XLogP3.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.38
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

N-[2-(2-carbamothioyl-4-fluorophenoxy)phenyl]acetamide
CID 63673578
2-(2-ethoxyphenoxy)-5-methylbenzenecarbothioamide
CID 107929491
4-(2-acetamidophenoxy)-3-methylbenzoic acid
CID 62120796
2-[2-(difluoromethoxy)anilino]-5-methylbenzenecarbothioamide
CID 107928513
2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide
CID 55057221
1-[2-(2,4-dimethylphenoxy)phenyl]ethanone
CID 14797515
2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide
CID 63674918
N-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]acetamide
CID 62913100
(2-acetamidophenyl) hypochlorite
CID 150463309
N-[2-[2-(aminomethyl)-3-chlorophenoxy]phenyl]acetamide
CID 62502106
N-[2-[2-(aminomethyl)-6-methylphenoxy]phenyl]acetamide
CID 107105915
N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]phenyl]acetamide
CID 83268145

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-carbamothioyl-4-methylphenoxy)phenyl]acetamide?
The IUPAC name of N-[2-(2-carbamothioyl-4-methylphenoxy)phenyl]acetamide (CID 107929518) is N-[2-(2-carbamothioyl-4-methylphenoxy)phenyl]acetamide.
What is the SMILES notation for N-[2-(2-carbamothioyl-4-methylphenoxy)phenyl]acetamide?
The canonical SMILES for N-[2-(2-carbamothioyl-4-methylphenoxy)phenyl]acetamide is CC(=O)Nc1ccccc1Oc1ccc(C)cc1C(N)=S.
What is the InChIKey of N-[2-(2-carbamothioyl-4-methylphenoxy)phenyl]acetamide?
The InChIKey is MATWITOGGPPCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10-7-8-14(12(9-10)16(17)21)20-15-6-4-3-5-13(15)18-11(2)19/h3-9H,1-2H3,(H2,17,21)(H,18,19).
What are the key properties of N-[2-(2-carbamothioyl-4-methylphenoxy)phenyl]acetamide?
N-[2-(2-carbamothioyl-4-methylphenoxy)phenyl]acetamide has a molecular weight of 300.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-carbamothioyl-4-methylphenoxy)phenyl]acetamide is sourced from PubChem (CID 107929518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).