N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)pentanamide

C19H25NO2S — CID 112795029

IUPACN-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)pentanamide
SMILESCCCC(C)C(=O)N(Cc1cccs1)Cc1ccccc1OC
InChIInChI=1S/C19H25NO2S/c1-4-8-15(2)19(21)20(14-17-10-7-12-23-17)13-16-9-5-6-11-18(16)22-3/h5-7,9-12,15H,4,8,13-14H2,1-3H3
InChIKeyZPPAFZPBLUAINY-UHFFFAOYSA-N
MW331.48 g/mol
LogP4.72
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)pentanamide

N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)pentanamide (PubChem CID 112795029) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)pentanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)pentanamide
PubChem CID112795029
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)pentanamide
SMILESCCCC(C)C(=O)N(Cc1cccs1)Cc1ccccc1OC
InChIInChI=1S/C19H25NO2S/c1-4-8-15(2)19(21)20(14-17-10-7-12-23-17)13-16-9-5-6-11-18(16)22-3/h5-7,9-12,15H,4,8,13-14H2,1-3H3
InChIKeyZPPAFZPBLUAINY-UHFFFAOYSA-N
XLogP4.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)pentanamide 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

2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide
CID 112795027
N-[(2-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119685033
2-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119268849
3-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 119268847
2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-pentan-2-ylacetamide
CID 46614580
(E)-3-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 26905554
2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 112795014
N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 119685026
N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 134034593
3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 8700024
4-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 8891705
N-ethyl-2-methyl-3-(2-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 138547765

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)pentanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)pentanamide (CID 112795029) is N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)pentanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)pentanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)pentanamide is CCCC(C)C(=O)N(Cc1cccs1)Cc1ccccc1OC.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)pentanamide?
The InChIKey is ZPPAFZPBLUAINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-4-8-15(2)19(21)20(14-17-10-7-12-23-17)13-16-9-5-6-11-18(16)22-3/h5-7,9-12,15H,4,8,13-14H2,1-3H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)pentanamide?
N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)pentanamide has a molecular weight of 331.48 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)pentanamide is sourced from PubChem (CID 112795029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).