N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide

C26H38N2O2S — CID 4014692

IUPACN-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide
SMILESCCCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)C(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C26H38N2O2S/c1-6-14-27(24(29)16-21(2)17-26(3,4)5)20-25(30)28(19-23-13-10-15-31-23)18-22-11-8-7-9-12-22/h7-13,15,21H,6,14,16-20H2,1-5H3
InChIKeyVOWQOCOQBHUULL-UHFFFAOYSA-N
MW442.67 g/mol
LogP5.98
Rot. Bonds11

About N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide

N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide (PubChem CID 4014692) has the molecular formula C26H38N2O2S and a molecular weight of 442.67 g/mol. Its IUPAC name is N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide.

Molecular Properties

Compound NameN-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide
PubChem CID4014692
Molecular FormulaC26H38N2O2S
Molecular Weight442.67 g/mol
Exact Mass442.27
IUPAC NameN-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide
SMILESCCCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)C(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C26H38N2O2S/c1-6-14-27(24(29)16-21(2)17-26(3,4)5)20-25(30)28(19-23-13-10-15-31-23)18-22-11-8-7-9-12-22/h7-13,15,21H,6,14,16-20H2,1-5H3
InChIKeyVOWQOCOQBHUULL-UHFFFAOYSA-N
XLogP5.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.67
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide
CID 4017696
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-butyl-2-chloropropanamide
CID 4032692
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propylbenzamide
CID 3986046
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-butyl-2-phenylbutanamide
CID 3979409
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylbutyl)tetradecanamide
CID 3451505
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide
CID 3581124
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide
CID 5145017
N-benzyl-2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 5023736
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-[(2S)-butan-2-yl]pentanamide
CID 7288793
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)octanamide
CID 4288111
N-benzyl-2-[(4-methylsulfanylphenyl)carbamoyl-propylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4640530
2-[1-adamantylcarbamoyl(propyl)amino]-N-benzyl-N-(thiophen-2-ylmethyl)acetamide
CID 4029663

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide?
The IUPAC name of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide (CID 4014692) is N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide.
What is the SMILES notation for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide?
The canonical SMILES for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide is CCCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)C(=O)CC(C)CC(C)(C)C.
What is the InChIKey of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide?
The InChIKey is VOWQOCOQBHUULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O2S/c1-6-14-27(24(29)16-21(2)17-26(3,4)5)20-25(30)28(19-23-13-10-15-31-23)18-22-11-8-7-9-12-22/h7-13,15,21H,6,14,16-20H2,1-5H3.
What are the key properties of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide?
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide has a molecular weight of 442.67 g/mol, XLogP of 5.98, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide is sourced from PubChem (CID 4014692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).