N-[[7-(benzylamino)-3-thiophen-2-ylnaphthalen-1-yl]methyl]butanamide

C26H26N2OS — CID 173278572

IUPACN-[[7-(benzylamino)-3-thiophen-2-ylnaphthalen-1-yl]methyl]butanamide
SMILESCCCC(=O)NCc1cc(-c2cccs2)cc2ccc(NCc3ccccc3)cc12
InChIInChI=1S/C26H26N2OS/c1-2-7-26(29)28-18-22-15-21(25-10-6-13-30-25)14-20-11-12-23(16-24(20)22)27-17-19-8-4-3-5-9-19/h3-6,8-16,27H,2,7,17-18H2,1H3,(H,28,29)
InChIKeyFYXYMTOWRULULR-UHFFFAOYSA-N
MW414.57 g/mol
LogP6.60
Rot. Bonds8

About N-[[7-(benzylamino)-3-thiophen-2-ylnaphthalen-1-yl]methyl]butanamide

N-[[7-(benzylamino)-3-thiophen-2-ylnaphthalen-1-yl]methyl]butanamide (PubChem CID 173278572) has the molecular formula C26H26N2OS and a molecular weight of 414.57 g/mol. Its IUPAC name is N-[[7-(benzylamino)-3-thiophen-2-ylnaphthalen-1-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[7-(benzylamino)-3-thiophen-2-ylnaphthalen-1-yl]methyl]butanamide
PubChem CID173278572
Molecular FormulaC26H26N2OS
Molecular Weight414.57 g/mol
Exact Mass414.18
IUPAC NameN-[[7-(benzylamino)-3-thiophen-2-ylnaphthalen-1-yl]methyl]butanamide
SMILESCCCC(=O)NCc1cc(-c2cccs2)cc2ccc(NCc3ccccc3)cc12
InChIInChI=1S/C26H26N2OS/c1-2-7-26(29)28-18-22-15-21(25-10-6-13-30-25)14-20-11-12-23(16-24(20)22)27-17-19-8-4-3-5-9-19/h3-6,8-16,27H,2,7,17-18H2,1H3,(H,28,29)
InChIKeyFYXYMTOWRULULR-UHFFFAOYSA-N
XLogP6.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[7-(benzylamino)-3-thiophen-2-ylnaphthalen-1-yl]methyl]butanamide 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-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide
CID 9233346
4-N-benzyl-2-thiophen-2-ylbenzene-1,4-diamine
CID 175800702
N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide
CID 9356285
N-benzyl-4-thiophen-2-ylbenzamide
CID 3677900
N-[(3-acetamidophenyl)methyl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 39575691
2-chloro-N-[(4-thiophen-2-ylphenyl)methyl]acetamide
CID 146105331
2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 42852618
N-benzyl-3-(4-methylanilino)propanamide
CID 109018805
N-benzyl-2-[4-[(4-fluorophenyl)methylamino]phenyl]acetamide
CID 46045383
N-benzyl-2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 50749968
N-benzyl-3-(2-ethylanilino)propanamide
CID 109018815
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323159

Frequently Asked Questions

What is the IUPAC name of N-[[7-(benzylamino)-3-thiophen-2-ylnaphthalen-1-yl]methyl]butanamide?
The IUPAC name of N-[[7-(benzylamino)-3-thiophen-2-ylnaphthalen-1-yl]methyl]butanamide (CID 173278572) is N-[[7-(benzylamino)-3-thiophen-2-ylnaphthalen-1-yl]methyl]butanamide.
What is the SMILES notation for N-[[7-(benzylamino)-3-thiophen-2-ylnaphthalen-1-yl]methyl]butanamide?
The canonical SMILES for N-[[7-(benzylamino)-3-thiophen-2-ylnaphthalen-1-yl]methyl]butanamide is CCCC(=O)NCc1cc(-c2cccs2)cc2ccc(NCc3ccccc3)cc12.
What is the InChIKey of N-[[7-(benzylamino)-3-thiophen-2-ylnaphthalen-1-yl]methyl]butanamide?
The InChIKey is FYXYMTOWRULULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2OS/c1-2-7-26(29)28-18-22-15-21(25-10-6-13-30-25)14-20-11-12-23(16-24(20)22)27-17-19-8-4-3-5-9-19/h3-6,8-16,27H,2,7,17-18H2,1H3,(H,28,29).
What are the key properties of N-[[7-(benzylamino)-3-thiophen-2-ylnaphthalen-1-yl]methyl]butanamide?
N-[[7-(benzylamino)-3-thiophen-2-ylnaphthalen-1-yl]methyl]butanamide has a molecular weight of 414.57 g/mol, XLogP of 6.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(benzylamino)-3-thiophen-2-ylnaphthalen-1-yl]methyl]butanamide is sourced from PubChem (CID 173278572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).