2-phenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide

C18H20N2O2S — CID 17151053

IUPAC2-phenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide
SMILESCC(C)Oc1ccccc1NC(=S)NC(=O)Cc1ccccc1
InChIInChI=1S/C18H20N2O2S/c1-13(2)22-16-11-7-6-10-15(16)19-18(23)20-17(21)12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H2,19,20,21,23)
InChIKeyCVXYOVIMILIAHI-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.53
Rot. Bonds5

About 2-phenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide

2-phenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide (PubChem CID 17151053) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-phenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide
PubChem CID17151053
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name2-phenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide
SMILESCC(C)Oc1ccccc1NC(=S)NC(=O)Cc1ccccc1
InChIInChI=1S/C18H20N2O2S/c1-13(2)22-16-11-7-6-10-15(16)19-18(23)20-17(21)12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H2,19,20,21,23)
InChIKeyCVXYOVIMILIAHI-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

N-[(2-propan-2-yloxyphenyl)carbamothioyl]hexanamide
CID 17151100
2,2-diphenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17151042
N-(phenylcarbamothioyl)-2-(4-propan-2-yloxyphenyl)acetamide
CID 3799684
1-phenyl-3-(2-propan-2-yloxyphenyl)thiourea
CID 17150868
N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108945297
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
CID 112687005
N-(2-propan-2-yloxyphenyl)benzenecarbothioamide
CID 101432732
2-(3-methylphenyl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113098613
2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
CID 39000097
2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
CID 889519
2-(4-methoxyphenyl)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]acetamide
CID 17131022

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide?
The IUPAC name of 2-phenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide (CID 17151053) is 2-phenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-phenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide is CC(C)Oc1ccccc1NC(=S)NC(=O)Cc1ccccc1.
What is the InChIKey of 2-phenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide?
The InChIKey is CVXYOVIMILIAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13(2)22-16-11-7-6-10-15(16)19-18(23)20-17(21)12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H2,19,20,21,23).
What are the key properties of 2-phenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide?
2-phenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]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 2-phenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 17151053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).