N-[(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxypropanamide

C19H18N2O2S — CID 4939947

IUPACN-[(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxypropanamide
SMILESCc1ccc(C=NNC(=O)C(C)Oc2ccc3ccccc3c2)s1
InChIInChI=1S/C19H18N2O2S/c1-13-7-10-18(24-13)12-20-21-19(22)14(2)23-17-9-8-15-5-3-4-6-16(15)11-17/h3-12,14H,1-2H3,(H,21,22)
InChIKeyKQIOTRQPJHWPEM-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.13
Rot. Bonds5

About N-[(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxypropanamide

N-[(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxypropanamide (PubChem CID 4939947) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxypropanamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxypropanamide
PubChem CID4939947
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-[(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxypropanamide
SMILESCc1ccc(C=NNC(=O)C(C)Oc2ccc3ccccc3c2)s1
InChIInChI=1S/C19H18N2O2S/c1-13-7-10-18(24-13)12-20-21-19(22)14(2)23-17-9-8-15-5-3-4-6-16(15)11-17/h3-12,14H,1-2H3,(H,21,22)
InChIKeyKQIOTRQPJHWPEM-UHFFFAOYSA-N
XLogP4.13
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxypropanamide 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

(2S)-2-(4-chlorophenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]propanamide
CID 1229715
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 135472410
N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939949
N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 6005253
(2R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 5458000
N-(ethylideneamino)-2-naphthalen-2-yloxypropanamide
CID 4633830
N-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4061688
2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide
CID 2867106
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4634005
2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 7167427
(2S)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 136849957
[1-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 4152788

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxypropanamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxypropanamide (CID 4939947) is N-[(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxypropanamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxypropanamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxypropanamide is Cc1ccc(C=NNC(=O)C(C)Oc2ccc3ccccc3c2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxypropanamide?
The InChIKey is KQIOTRQPJHWPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-13-7-10-18(24-13)12-20-21-19(22)14(2)23-17-9-8-15-5-3-4-6-16(15)11-17/h3-12,14H,1-2H3,(H,21,22).
What are the key properties of N-[(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxypropanamide?
N-[(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxypropanamide has a molecular weight of 338.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxypropanamide is sourced from PubChem (CID 4939947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).