N-(2-amino-5-thiophen-2-ylphenyl)-3-[[methyl(propan-2-yloxy)phosphanyl]methyl]benzamide

C22H25N2O2PS — CID 143614082

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-3-[[methyl(propan-2-yloxy)phosphanyl]methyl]benzamide
SMILESCC(C)OP(C)Cc1cccc(C(=O)Nc2cc(-c3cccs3)ccc2N)c1
InChIInChI=1S/C22H25N2O2PS/c1-15(2)26-27(3)14-16-6-4-7-18(12-16)22(25)24-20-13-17(9-10-19(20)23)21-8-5-11-28-21/h4-13,15H,14,23H2,1-3H3,(H,24,25)
InChIKeyQURCCIKPXFSDJO-UHFFFAOYSA-N
MW412.50 g/mol
LogP6.20
Rot. Bonds7

About N-(2-amino-5-thiophen-2-ylphenyl)-3-[[methyl(propan-2-yloxy)phosphanyl]methyl]benzamide

N-(2-amino-5-thiophen-2-ylphenyl)-3-[[methyl(propan-2-yloxy)phosphanyl]methyl]benzamide (PubChem CID 143614082) has the molecular formula C22H25N2O2PS and a molecular weight of 412.50 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-3-[[methyl(propan-2-yloxy)phosphanyl]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-3-[[methyl(propan-2-yloxy)phosphanyl]methyl]benzamide
PubChem CID143614082
Molecular FormulaC22H25N2O2PS
Molecular Weight412.50 g/mol
Exact Mass412.14
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-3-[[methyl(propan-2-yloxy)phosphanyl]methyl]benzamide
SMILESCC(C)OP(C)Cc1cccc(C(=O)Nc2cc(-c3cccs3)ccc2N)c1
InChIInChI=1S/C22H25N2O2PS/c1-15(2)26-27(3)14-16-6-4-7-18(12-16)22(25)24-20-13-17(9-10-19(20)23)21-8-5-11-28-21/h4-13,15H,14,23H2,1-3H3,(H,24,25)
InChIKeyQURCCIKPXFSDJO-UHFFFAOYSA-N
XLogP6.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.50
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis[[3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy]-oxophosphanium
CID 69000333
N-(2-amino-5-thiophen-2-ylphenyl)-3-[[ethoxy(ethyl)phosphoryl]oxymethyl]benzamide
CID 91550414
[3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-oxo-phenylphosphanium
CID 69000270
N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-[methoxy(methyl)phosphanyl]oxyethyl]benzamide
CID 143614063
N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide
CID 59736817
N-(2-amino-5-thiophen-2-ylphenyl)-4-[2-[ethoxy(methyl)phosphanyl]oxyethyl]benzamide
CID 143614034
N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide
CID 25157373
3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide
CID 143026776
[3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-oxophosphanium
CID 154074694
N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913825
(2-amino-2-methylpropoxy)-[1-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]ethyl]phosphinic acid
CID 25012986
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(methylsulfonimidoyl)methyl]benzamide
CID 168792590

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-3-[[methyl(propan-2-yloxy)phosphanyl]methyl]benzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-3-[[methyl(propan-2-yloxy)phosphanyl]methyl]benzamide (CID 143614082) is N-(2-amino-5-thiophen-2-ylphenyl)-3-[[methyl(propan-2-yloxy)phosphanyl]methyl]benzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-3-[[methyl(propan-2-yloxy)phosphanyl]methyl]benzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-3-[[methyl(propan-2-yloxy)phosphanyl]methyl]benzamide is CC(C)OP(C)Cc1cccc(C(=O)Nc2cc(-c3cccs3)ccc2N)c1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-3-[[methyl(propan-2-yloxy)phosphanyl]methyl]benzamide?
The InChIKey is QURCCIKPXFSDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N2O2PS/c1-15(2)26-27(3)14-16-6-4-7-18(12-16)22(25)24-20-13-17(9-10-19(20)23)21-8-5-11-28-21/h4-13,15H,14,23H2,1-3H3,(H,24,25).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-3-[[methyl(propan-2-yloxy)phosphanyl]methyl]benzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-3-[[methyl(propan-2-yloxy)phosphanyl]methyl]benzamide has a molecular weight of 412.50 g/mol, XLogP of 6.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-3-[[methyl(propan-2-yloxy)phosphanyl]methyl]benzamide is sourced from PubChem (CID 143614082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).