[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-ethoxyphosphinic acid

C19H19N2O4PS — CID 25012333

IUPAC[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-ethoxyphosphinic acid
SMILESCCOP(=O)(O)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C19H19N2O4PS/c1-2-25-26(23,24)15-8-5-13(6-9-15)19(22)21-17-12-14(7-10-16(17)20)18-4-3-11-27-18/h3-12H,2,20H2,1H3,(H,21,22)(H,23,24)
InChIKeyIMLZDMUDBWXUHD-UHFFFAOYSA-N
MW402.41 g/mol
LogP4.10
Rot. Bonds6

About [4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-ethoxyphosphinic acid

[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-ethoxyphosphinic acid (PubChem CID 25012333) has the molecular formula C19H19N2O4PS and a molecular weight of 402.41 g/mol. Its IUPAC name is [4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-ethoxyphosphinic acid.

Molecular Properties

Compound Name[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-ethoxyphosphinic acid
PubChem CID25012333
Molecular FormulaC19H19N2O4PS
Molecular Weight402.41 g/mol
Exact Mass402.08
IUPAC Name[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-ethoxyphosphinic acid
SMILESCCOP(=O)(O)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C19H19N2O4PS/c1-2-25-26(23,24)15-8-5-13(6-9-15)19(22)21-17-12-14(7-10-16(17)20)18-4-3-11-27-18/h3-12H,2,20H2,1H3,(H,21,22)(H,23,24)
InChIKeyIMLZDMUDBWXUHD-UHFFFAOYSA-N
XLogP4.10
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

HDAC inhibitor, Compound 1
CID 6918878
4-[1-amino-2-(methylamino)-2-oxoethyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
CID 24753670
N-[2-amino-5-(2-thienyl)phenyl]-4-(1,2-diamino-2-oxoethyl)benzamide
CID 24753671
4-[1-acetamido-2-(methylamino)-2-oxoethyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
CID 24753949
N-(2-amino-5-(thiophen-2-yl)phenyl)-4-((diisopropylphosphoryl)methyl)benzamide
CID 25012006
N-(2-amino-5-(thiophen-2-yl)phenyl)-4-((diethylphosphoryl)methyl)benzamide
CID 25012007
Diethyl 4-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)phenylphosphonate
CID 25012170
Methyl 4-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)phenyl(phenyl)phosphinate
CID 25012335
Ethyl 4-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)phenyl(phenyl)phosphinate
CID 25012495
Diethyl 4-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)benzylphosphonate
CID 25012816
Ethyl hydrogen 4-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)benzylphosphonate
CID 25012818
Diethyl 3-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)benzylphosphonate
CID 25012981

Frequently Asked Questions

What is the IUPAC name of [4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-ethoxyphosphinic acid?
The IUPAC name of [4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-ethoxyphosphinic acid (CID 25012333) is [4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-ethoxyphosphinic acid.
What is the SMILES notation for [4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-ethoxyphosphinic acid?
The canonical SMILES for [4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-ethoxyphosphinic acid is CCOP(=O)(O)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1.
What is the InChIKey of [4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-ethoxyphosphinic acid?
The InChIKey is IMLZDMUDBWXUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N2O4PS/c1-2-25-26(23,24)15-8-5-13(6-9-15)19(22)21-17-12-14(7-10-16(17)20)18-4-3-11-27-18/h3-12H,2,20H2,1H3,(H,21,22)(H,23,24).
What are the key properties of [4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-ethoxyphosphinic acid?
[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-ethoxyphosphinic acid has a molecular weight of 402.41 g/mol, XLogP of 4.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-ethoxyphosphinic acid is sourced from PubChem (CID 25012333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).