N-(2-amino-5-thiophen-2-ylphenyl)-4-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methyl]benzamide

C25H24N3O3PS — CID 25013472

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-4-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methyl]benzamide
SMILESCP(=O)(Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1)OCc1cccnc1
InChIInChI=1S/C25H24N3O3PS/c1-32(30,31-16-19-4-2-12-27-15-19)17-18-6-8-20(9-7-18)25(29)28-23-14-21(10-11-22(23)26)24-5-3-13-33-24/h2-15H,16-17,26H2,1H3,(H,28,29)
InChIKeyYUGYFUOJZVHTHY-UHFFFAOYSA-N
MW477.53 g/mol
LogP6.27
Rot. Bonds8

About N-(2-amino-5-thiophen-2-ylphenyl)-4-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methyl]benzamide

N-(2-amino-5-thiophen-2-ylphenyl)-4-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methyl]benzamide (PubChem CID 25013472) has the molecular formula C25H24N3O3PS and a molecular weight of 477.53 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-4-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methyl]benzamide
PubChem CID25013472
Molecular FormulaC25H24N3O3PS
Molecular Weight477.53 g/mol
Exact Mass477.13
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methyl]benzamide
SMILESCP(=O)(Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1)OCc1cccnc1
InChIInChI=1S/C25H24N3O3PS/c1-32(30,31-16-19-4-2-12-27-15-19)17-18-6-8-20(9-7-18)25(29)28-23-14-21(10-11-22(23)26)24-5-3-13-33-24/h2-15H,16-17,26H2,1H3,(H,28,29)
InChIKeyYUGYFUOJZVHTHY-UHFFFAOYSA-N
XLogP6.27
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.53
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Pyridin-3-yl)methyl 4-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)benzylcarbamate
CID 23648260
pyridin-3-ylmethyl N-[[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25155420
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-2-ylacetyl)amino]methyl]benzamide
CID 25157661
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2-pyridin-4-ylacetyl)amino]methyl]benzamide
CID 25157662
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(3-pyridin-3-ylpropanoylamino)methyl]benzamide
CID 25157968
N-[2-amino-5-(4-methylthiophen-2-yl)phenyl]-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25158536
N-[2-amino-5-(2-thienyl)phenyl]-4-{[(pyridin-3-ylacetyl)amino]methyl}benzamide
CID 59627356
pyridin-3-ylmethyl N-[1-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2-(methylamino)-2-oxoethyl]carbamate
CID 24753853
pyridin-3-ylmethyl N-[2-amino-1-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2-oxoethyl]carbamate
CID 24753854
pyridin-3-ylmethyl N-[1-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2-(ethylamino)-2-oxoethyl]carbamate
CID 24753855
pyridin-3-ylmethyl N-[1-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2-oxo-2-(propan-2-ylamino)ethyl]carbamate
CID 24753856
pyridin-3-ylmethyl N-[1-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2-(dimethylamino)-2-oxoethyl]carbamate
CID 24753857

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methyl]benzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methyl]benzamide (CID 25013472) is N-(2-amino-5-thiophen-2-ylphenyl)-4-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methyl]benzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-4-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methyl]benzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-4-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methyl]benzamide is CP(=O)(Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1)OCc1cccnc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-4-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methyl]benzamide?
The InChIKey is YUGYFUOJZVHTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N3O3PS/c1-32(30,31-16-19-4-2-12-27-15-19)17-18-6-8-20(9-7-18)25(29)28-23-14-21(10-11-22(23)26)24-5-3-13-33-24/h2-15H,16-17,26H2,1H3,(H,28,29).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-4-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methyl]benzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methyl]benzamide has a molecular weight of 477.53 g/mol, XLogP of 6.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-4-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methyl]benzamide is sourced from PubChem (CID 25013472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).