N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide

C26H30N2O4S — CID 5130255

IUPACN-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCCOCCCNC(=O)C(c1ccc(C)cc1)N(Cc1cccs1)C(=O)c1ccccc1O
InChIInChI=1S/C26H30N2O4S/c1-3-32-16-7-15-27-25(30)24(20-13-11-19(2)12-14-20)28(18-21-8-6-17-33-21)26(31)22-9-4-5-10-23(22)29/h4-6,8-14,17,24,29H,3,7,15-16,18H2,1-2H3,(H,27,30)
InChIKeyOJAZGZWRCCAYJZ-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.69
Rot. Bonds11

About N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide

N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 5130255) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide
PubChem CID5130255
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCCOCCCNC(=O)C(c1ccc(C)cc1)N(Cc1cccs1)C(=O)c1ccccc1O
InChIInChI=1S/C26H30N2O4S/c1-3-32-16-7-15-27-25(30)24(20-13-11-19(2)12-14-20)28(18-21-8-6-17-33-21)26(31)22-9-4-5-10-23(22)29/h4-6,8-14,17,24,29H,3,7,15-16,18H2,1-2H3,(H,27,30)
InChIKeyOJAZGZWRCCAYJZ-UHFFFAOYSA-N
XLogP4.69
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.69
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)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide (CID 5130255) is N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide is CCOCCCNC(=O)C(c1ccc(C)cc1)N(Cc1cccs1)C(=O)c1ccccc1O.
What is the InChIKey of N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is OJAZGZWRCCAYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-3-32-16-7-15-27-25(30)24(20-13-11-19(2)12-14-20)28(18-21-8-6-17-33-21)26(31)22-9-4-5-10-23(22)29/h4-6,8-14,17,24,29H,3,7,15-16,18H2,1-2H3,(H,27,30).
What are the key properties of N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide?
N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 466.60 g/mol, XLogP of 4.69, 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)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 5130255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).