N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylbutyl)tetradecanamide

C33H52N2O2S — CID 3451505

IUPACN-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylbutyl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1cccs1)CC(C)CC
InChIInChI=1S/C33H52N2O2S/c1-4-6-7-8-9-10-11-12-13-14-18-23-32(36)34(25-29(3)5-2)28-33(37)35(27-31-22-19-24-38-31)26-30-20-16-15-17-21-30/h15-17,19-22,24,29H,4-14,18,23,25-28H2,1-3H3
InChIKeyMGSLJKKQRNOOIM-UHFFFAOYSA-N
MW540.86 g/mol
LogP8.85
Rot. Bonds21

About N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylbutyl)tetradecanamide

N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylbutyl)tetradecanamide (PubChem CID 3451505) has the molecular formula C33H52N2O2S and a molecular weight of 540.86 g/mol. Its IUPAC name is N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylbutyl)tetradecanamide.

Molecular Properties

Compound NameN-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylbutyl)tetradecanamide
PubChem CID3451505
Molecular FormulaC33H52N2O2S
Molecular Weight540.86 g/mol
Exact Mass540.37
IUPAC NameN-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylbutyl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1cccs1)CC(C)CC
InChIInChI=1S/C33H52N2O2S/c1-4-6-7-8-9-10-11-12-13-14-18-23-32(36)34(25-29(3)5-2)28-33(37)35(27-31-22-19-24-38-31)26-30-20-16-15-17-21-30/h15-17,19-22,24,29H,4-14,18,23,25-28H2,1-3H3
InChIKeyMGSLJKKQRNOOIM-UHFFFAOYSA-N
XLogP8.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.86
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide
CID 3581124
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-[(2S)-2-methylbutyl]heptanamide
CID 92955375
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-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)octanamide
CID 3979411
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide
CID 3897940
N-benzyl-2-[(2,6-dichlorophenyl)carbamoyl-(2-methylbutyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4037489
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-hexyl-N-(2-methoxyethyl)benzamide
CID 5021949
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-butyl-2-phenylbutanamide
CID 3979409
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-butan-2-yl-2-chloropropanamide
CID 42777569

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylbutyl)tetradecanamide?
The IUPAC name of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylbutyl)tetradecanamide (CID 3451505) is N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylbutyl)tetradecanamide.
What is the SMILES notation for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylbutyl)tetradecanamide?
The canonical SMILES for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylbutyl)tetradecanamide is CCCCCCCCCCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1cccs1)CC(C)CC.
What is the InChIKey of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylbutyl)tetradecanamide?
The InChIKey is MGSLJKKQRNOOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H52N2O2S/c1-4-6-7-8-9-10-11-12-13-14-18-23-32(36)34(25-29(3)5-2)28-33(37)35(27-31-22-19-24-38-31)26-30-20-16-15-17-21-30/h15-17,19-22,24,29H,4-14,18,23,25-28H2,1-3H3.
What are the key properties of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylbutyl)tetradecanamide?
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylbutyl)tetradecanamide has a molecular weight of 540.86 g/mol, XLogP of 8.85, 21 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]-N-(2-methylbutyl)tetradecanamide is sourced from PubChem (CID 3451505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).