2-diethoxyphosphoryl-N-methyl-5-phenylthiophen-3-amine

C15H20NO3PS — CID 10758422

IUPAC2-diethoxyphosphoryl-N-methyl-5-phenylthiophen-3-amine
SMILESCCOP(=O)(OCC)c1sc(-c2ccccc2)cc1NC
InChIInChI=1S/C15H20NO3PS/c1-4-18-20(17,19-5-2)15-13(16-3)11-14(21-15)12-9-7-6-8-10-12/h6-11,16H,4-5H2,1-3H3
InChIKeyCJJIOIYDAILZLO-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.35
Rot. Bonds7

About 2-diethoxyphosphoryl-N-methyl-5-phenylthiophen-3-amine

2-diethoxyphosphoryl-N-methyl-5-phenylthiophen-3-amine (PubChem CID 10758422) has the molecular formula C15H20NO3PS and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-N-methyl-5-phenylthiophen-3-amine.

Molecular Properties

Compound Name2-diethoxyphosphoryl-N-methyl-5-phenylthiophen-3-amine
PubChem CID10758422
Molecular FormulaC15H20NO3PS
Molecular Weight325.37 g/mol
Exact Mass325.09
IUPAC Name2-diethoxyphosphoryl-N-methyl-5-phenylthiophen-3-amine
SMILESCCOP(=O)(OCC)c1sc(-c2ccccc2)cc1NC
InChIInChI=1S/C15H20NO3PS/c1-4-18-20(17,19-5-2)15-13(16-3)11-14(21-15)12-9-7-6-8-10-12/h6-11,16H,4-5H2,1-3H3
InChIKeyCJJIOIYDAILZLO-UHFFFAOYSA-N
XLogP4.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-ethyl-N-methyl-5-phenylthiophen-3-amine
CID 167489781
ethyl 7-[3-(methylamino)-5-phenylthiophen-2-yl]heptanoate
CID 10860899
N-[bis(diethoxyphosphoryl)methyl]-5-phenyl-1,3-thiazol-2-amine
CID 11733265
ethyl 3,3-dimethyl-5-[3-(methylamino)-5-phenylthiophen-2-yl]-5-oxopentanoate
CID 10832329
3-[3-(methylamino)-5-phenylthiophen-2-yl]propanenitrile
CID 10538135
ethyl 3-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 41154223
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
4-diethoxyphosphoryl-N-ethylaniline
CID 23415640
N-diethoxyphosphoryl-5-methoxy-2-phenylaniline
CID 86305310
ethyl 3-[(4-ethylsulfanylbenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 41044376
ethyl 3-[[4-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 121043595
(1S,4R,6S,7R)-8-diethoxyphosphoryl-9-phenyltetracyclo[4.3.0.02,4.03,7]non-8-ene
CID 53475095

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-N-methyl-5-phenylthiophen-3-amine?
The IUPAC name of 2-diethoxyphosphoryl-N-methyl-5-phenylthiophen-3-amine (CID 10758422) is 2-diethoxyphosphoryl-N-methyl-5-phenylthiophen-3-amine.
What is the SMILES notation for 2-diethoxyphosphoryl-N-methyl-5-phenylthiophen-3-amine?
The canonical SMILES for 2-diethoxyphosphoryl-N-methyl-5-phenylthiophen-3-amine is CCOP(=O)(OCC)c1sc(-c2ccccc2)cc1NC.
What is the InChIKey of 2-diethoxyphosphoryl-N-methyl-5-phenylthiophen-3-amine?
The InChIKey is CJJIOIYDAILZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20NO3PS/c1-4-18-20(17,19-5-2)15-13(16-3)11-14(21-15)12-9-7-6-8-10-12/h6-11,16H,4-5H2,1-3H3.
What are the key properties of 2-diethoxyphosphoryl-N-methyl-5-phenylthiophen-3-amine?
2-diethoxyphosphoryl-N-methyl-5-phenylthiophen-3-amine has a molecular weight of 325.37 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-N-methyl-5-phenylthiophen-3-amine is sourced from PubChem (CID 10758422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).