2-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-N-methyl-N-phenylacetamide

C15H22NO4PS — CID 21396794

IUPAC2-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-N-methyl-N-phenylacetamide
SMILESCN(C(=O)COP(O)(=S)OC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H22NO4PS/c1-16(13-8-4-2-5-9-13)15(17)12-19-21(18,22)20-14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H,18,22)
InChIKeyQQRRWQNEDDVLJT-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.23
Rot. Bonds6

About 2-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-N-methyl-N-phenylacetamide

2-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-N-methyl-N-phenylacetamide (PubChem CID 21396794) has the molecular formula C15H22NO4PS and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-N-methyl-N-phenylacetamide
PubChem CID21396794
Molecular FormulaC15H22NO4PS
Molecular Weight343.38 g/mol
Exact Mass343.10
IUPAC Name2-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-N-methyl-N-phenylacetamide
SMILESCN(C(=O)COP(O)(=S)OC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H22NO4PS/c1-16(13-8-4-2-5-9-13)15(17)12-19-21(18,22)20-14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H,18,22)
InChIKeyQQRRWQNEDDVLJT-UHFFFAOYSA-N
XLogP3.23
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-N-methyl-N-phenylacetamide (CID 21396794) is 2-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-N-methyl-N-phenylacetamide is CN(C(=O)COP(O)(=S)OC1CCCCC1)c1ccccc1.
What is the InChIKey of 2-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-N-methyl-N-phenylacetamide?
The InChIKey is QQRRWQNEDDVLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO4PS/c1-16(13-8-4-2-5-9-13)15(17)12-19-21(18,22)20-14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H,18,22).
What are the key properties of 2-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-N-methyl-N-phenylacetamide?
2-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-N-methyl-N-phenylacetamide has a molecular weight of 343.38 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-N-methyl-N-phenylacetamide is sourced from PubChem (CID 21396794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).