N-(2-amino-5-thiophen-2-ylphenyl)-3-(diethylphosphorylmethyl)benzamide

C22H25N2O2PS — CID 44592112

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-3-(diethylphosphorylmethyl)benzamide
SMILESCCP(=O)(CC)Cc1cccc(C(=O)Nc2cc(-c3cccs3)ccc2N)c1
InChIInChI=1S/C22H25N2O2PS/c1-3-27(26,4-2)15-16-7-5-8-18(13-16)22(25)24-20-14-17(10-11-19(20)23)21-9-6-12-28-21/h5-14H,3-4,15,23H2,1-2H3,(H,24,25)
InChIKeySDIHBLAEKOVFRY-UHFFFAOYSA-N
MW412.50 g/mol
LogP6.15
Rot. Bonds7

About N-(2-amino-5-thiophen-2-ylphenyl)-3-(diethylphosphorylmethyl)benzamide

N-(2-amino-5-thiophen-2-ylphenyl)-3-(diethylphosphorylmethyl)benzamide (PubChem CID 44592112) 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-(diethylphosphorylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-3-(diethylphosphorylmethyl)benzamide
PubChem CID44592112
Molecular FormulaC22H25N2O2PS
Molecular Weight412.50 g/mol
Exact Mass412.14
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-3-(diethylphosphorylmethyl)benzamide
SMILESCCP(=O)(CC)Cc1cccc(C(=O)Nc2cc(-c3cccs3)ccc2N)c1
InChIInChI=1S/C22H25N2O2PS/c1-3-27(26,4-2)15-16-7-5-8-18(13-16)22(25)24-20-14-17(10-11-19(20)23)21-9-6-12-28-21/h5-14H,3-4,15,23H2,1-2H3,(H,24,25)
InChIKeySDIHBLAEKOVFRY-UHFFFAOYSA-N
XLogP6.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.50
LogP ≤ 56.15
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

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Cambridge id 5272675
CID 1377411
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CID 156907311
N-{4-[(2-phenylacetyl)amino]phenyl}-2-thiophenecarboxamide
CID 3162290
4-Methyl-N-[4-(3-thiophen-2-yl-acryloyl)-phenyl]-benzamide
CID 5727407
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

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-3-(diethylphosphorylmethyl)benzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-3-(diethylphosphorylmethyl)benzamide (CID 44592112) is N-(2-amino-5-thiophen-2-ylphenyl)-3-(diethylphosphorylmethyl)benzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-3-(diethylphosphorylmethyl)benzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-3-(diethylphosphorylmethyl)benzamide is CCP(=O)(CC)Cc1cccc(C(=O)Nc2cc(-c3cccs3)ccc2N)c1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-3-(diethylphosphorylmethyl)benzamide?
The InChIKey is SDIHBLAEKOVFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N2O2PS/c1-3-27(26,4-2)15-16-7-5-8-18(13-16)22(25)24-20-14-17(10-11-19(20)23)21-9-6-12-28-21/h5-14H,3-4,15,23H2,1-2H3,(H,24,25).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-3-(diethylphosphorylmethyl)benzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-3-(diethylphosphorylmethyl)benzamide has a molecular weight of 412.50 g/mol, XLogP of 6.15, 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-(diethylphosphorylmethyl)benzamide is sourced from PubChem (CID 44592112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).