N-(phenylcarbamothioyl)-2-(4-propan-2-yloxyphenyl)acetamide

C18H20N2O2S — CID 3799684

IUPACN-(phenylcarbamothioyl)-2-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(CC(=O)NC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C18H20N2O2S/c1-13(2)22-16-10-8-14(9-11-16)12-17(21)20-18(23)19-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H2,19,20,21,23)
InChIKeyOSNLOBQJXRBZED-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.53
Rot. Bonds5

About N-(phenylcarbamothioyl)-2-(4-propan-2-yloxyphenyl)acetamide

N-(phenylcarbamothioyl)-2-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 3799684) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(phenylcarbamothioyl)-2-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-(phenylcarbamothioyl)-2-(4-propan-2-yloxyphenyl)acetamide
PubChem CID3799684
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(phenylcarbamothioyl)-2-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(CC(=O)NC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C18H20N2O2S/c1-13(2)22-16-10-8-14(9-11-16)12-17(21)20-18(23)19-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H2,19,20,21,23)
InChIKeyOSNLOBQJXRBZED-UHFFFAOYSA-N
XLogP3.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.53
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

1-phenyl-3-[[2-(4-propan-2-yloxyphenyl)acetyl]amino]thiourea
CID 950308
2-(4-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17154881
N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17235868
2-phenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17151053
N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17235910
N-[4-[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]phenyl]-3-methylbutanamide
CID 17194244
N-(phenylcarbamothioyl)-3-propan-2-yloxybenzamide
CID 823875
3-[(4-propan-2-yloxyphenyl)carbamothioylamino]propanoic acid
CID 3008622
N-[(4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide
CID 916513
N-[(3-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4939160
N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17130341
2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide
CID 7746770

Frequently Asked Questions

What is the IUPAC name of N-(phenylcarbamothioyl)-2-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of N-(phenylcarbamothioyl)-2-(4-propan-2-yloxyphenyl)acetamide (CID 3799684) is N-(phenylcarbamothioyl)-2-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for N-(phenylcarbamothioyl)-2-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for N-(phenylcarbamothioyl)-2-(4-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccc(CC(=O)NC(=S)Nc2ccccc2)cc1.
What is the InChIKey of N-(phenylcarbamothioyl)-2-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is OSNLOBQJXRBZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13(2)22-16-10-8-14(9-11-16)12-17(21)20-18(23)19-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H2,19,20,21,23).
What are the key properties of N-(phenylcarbamothioyl)-2-(4-propan-2-yloxyphenyl)acetamide?
N-(phenylcarbamothioyl)-2-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 328.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenylcarbamothioyl)-2-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 3799684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).