N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide

C25H28N2O4S — CID 3532049

IUPACN-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCCOCCCNC(=O)C(c1ccccc1)N(Cc1cccs1)C(=O)c1ccccc1O
InChIInChI=1S/C25H28N2O4S/c1-2-31-16-9-15-26-24(29)23(19-10-4-3-5-11-19)27(18-20-12-8-17-32-20)25(30)21-13-6-7-14-22(21)28/h3-8,10-14,17,23,28H,2,9,15-16,18H2,1H3,(H,26,29)
InChIKeyWHVPMAJQGYKMDQ-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.38
Rot. Bonds11

About N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide

N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 3532049) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide
PubChem CID3532049
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCCOCCCNC(=O)C(c1ccccc1)N(Cc1cccs1)C(=O)c1ccccc1O
InChIInChI=1S/C25H28N2O4S/c1-2-31-16-9-15-26-24(29)23(19-10-4-3-5-11-19)27(18-20-12-8-17-32-20)25(30)21-13-6-7-14-22(21)28/h3-8,10-14,17,23,28H,2,9,15-16,18H2,1H3,(H,26,29)
InChIKeyWHVPMAJQGYKMDQ-UHFFFAOYSA-N
XLogP4.38
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide (CID 3532049) is N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide is CCOCCCNC(=O)C(c1ccccc1)N(Cc1cccs1)C(=O)c1ccccc1O.
What is the InChIKey of N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is WHVPMAJQGYKMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-2-31-16-9-15-26-24(29)23(19-10-4-3-5-11-19)27(18-20-12-8-17-32-20)25(30)21-13-6-7-14-22(21)28/h3-8,10-14,17,23,28H,2,9,15-16,18H2,1H3,(H,26,29).
What are the key properties of N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide?
N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 452.58 g/mol, XLogP of 4.38, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 3532049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).