N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide

C28H33N3O3S — CID 4008750

IUPACN-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N(CCN1CCOCC1)CC(=O)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C28H33N3O3S/c32-27(20-24-8-3-1-4-9-24)30(14-13-29-15-17-34-18-16-29)23-28(33)31(22-26-12-7-19-35-26)21-25-10-5-2-6-11-25/h1-12,19H,13-18,20-23H2
InChIKeyREDRMDPGTZMLDI-UHFFFAOYSA-N
MW491.66 g/mol
LogP3.68
Rot. Bonds11

About N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide

N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide (PubChem CID 4008750) has the molecular formula C28H33N3O3S and a molecular weight of 491.66 g/mol. Its IUPAC name is N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
PubChem CID4008750
Molecular FormulaC28H33N3O3S
Molecular Weight491.66 g/mol
Exact Mass491.22
IUPAC NameN-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N(CCN1CCOCC1)CC(=O)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C28H33N3O3S/c32-27(20-24-8-3-1-4-9-24)30(14-13-29-15-17-34-18-16-29)23-28(33)31(22-26-12-7-19-35-26)21-25-10-5-2-6-11-25/h1-12,19H,13-18,20-23H2
InChIKeyREDRMDPGTZMLDI-UHFFFAOYSA-N
XLogP3.68
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.66
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide
CID 3897940
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-cyclopentyl-N-(2-morpholin-4-ylethyl)propanamide
CID 4541913
N-benzyl-2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3575220
N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3612818
2-[dimethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 42776402
N-benzyl-2-[(3-methoxyphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 1060019
N-benzyl-2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3958361
4-bromo-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 4063947
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 42772936
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)-2-phenylacetamide
CID 5193233
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3,5-dinitrobenzamide
CID 4049565
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 4687173

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide?
The IUPAC name of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide (CID 4008750) is N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide.
What is the SMILES notation for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide?
The canonical SMILES for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide is O=C(Cc1ccccc1)N(CCN1CCOCC1)CC(=O)N(Cc1ccccc1)Cc1cccs1.
What is the InChIKey of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide?
The InChIKey is REDRMDPGTZMLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3S/c32-27(20-24-8-3-1-4-9-24)30(14-13-29-15-17-34-18-16-29)23-28(33)31(22-26-12-7-19-35-26)21-25-10-5-2-6-11-25/h1-12,19H,13-18,20-23H2.
What are the key properties of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide?
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide has a molecular weight of 491.66 g/mol, XLogP of 3.68, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide is sourced from PubChem (CID 4008750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).