N-[(2-thiophen-3-ylphenyl)methyl]undecanamide

C22H31NOS — CID 90596958

IUPACN-[(2-thiophen-3-ylphenyl)methyl]undecanamide
SMILESCCCCCCCCCCC(=O)NCc1ccccc1-c1ccsc1
InChIInChI=1S/C22H31NOS/c1-2-3-4-5-6-7-8-9-14-22(24)23-17-19-12-10-11-13-21(19)20-15-16-25-18-20/h10-13,15-16,18H,2-9,14,17H2,1H3,(H,23,24)
InChIKeyQHZWRASJDKHAAE-UHFFFAOYSA-N
MW357.56 g/mol
LogP6.56
Rot. Bonds12

About N-[(2-thiophen-3-ylphenyl)methyl]undecanamide

N-[(2-thiophen-3-ylphenyl)methyl]undecanamide (PubChem CID 90596958) has the molecular formula C22H31NOS and a molecular weight of 357.56 g/mol. Its IUPAC name is N-[(2-thiophen-3-ylphenyl)methyl]undecanamide.

Molecular Properties

Compound NameN-[(2-thiophen-3-ylphenyl)methyl]undecanamide
PubChem CID90596958
Molecular FormulaC22H31NOS
Molecular Weight357.56 g/mol
Exact Mass357.21
IUPAC NameN-[(2-thiophen-3-ylphenyl)methyl]undecanamide
SMILESCCCCCCCCCCC(=O)NCc1ccccc1-c1ccsc1
InChIInChI=1S/C22H31NOS/c1-2-3-4-5-6-7-8-9-14-22(24)23-17-19-12-10-11-13-21(19)20-15-16-25-18-20/h10-13,15-16,18H,2-9,14,17H2,1H3,(H,23,24)
InChIKeyQHZWRASJDKHAAE-UHFFFAOYSA-N
XLogP6.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.56
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-thiophen-3-ylphenyl)methyl]undecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084
N-[(2-hydroxyphenyl)methyl]octadecanamide
CID 154122787
3-(2-hexylphenyl)thiophene
CID 174751094
2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809931
2-(4-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 90596848
2-thiophen-2-yl-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809924
N-[(2-chlorophenyl)methyl]tetradecanamide
CID 54789460
N-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide
CID 90596997
N-[(2-fluorophenyl)methyl]hexanamide
CID 17068300
2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596839
2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596843
N-benzylundecanamide
CID 5078198

Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-3-ylphenyl)methyl]undecanamide?
The IUPAC name of N-[(2-thiophen-3-ylphenyl)methyl]undecanamide (CID 90596958) is N-[(2-thiophen-3-ylphenyl)methyl]undecanamide.
What is the SMILES notation for N-[(2-thiophen-3-ylphenyl)methyl]undecanamide?
The canonical SMILES for N-[(2-thiophen-3-ylphenyl)methyl]undecanamide is CCCCCCCCCCC(=O)NCc1ccccc1-c1ccsc1.
What is the InChIKey of N-[(2-thiophen-3-ylphenyl)methyl]undecanamide?
The InChIKey is QHZWRASJDKHAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NOS/c1-2-3-4-5-6-7-8-9-14-22(24)23-17-19-12-10-11-13-21(19)20-15-16-25-18-20/h10-13,15-16,18H,2-9,14,17H2,1H3,(H,23,24).
What are the key properties of N-[(2-thiophen-3-ylphenyl)methyl]undecanamide?
N-[(2-thiophen-3-ylphenyl)methyl]undecanamide has a molecular weight of 357.56 g/mol, XLogP of 6.56, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-3-ylphenyl)methyl]undecanamide is sourced from PubChem (CID 90596958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).