N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(3-methylphenoxy)acetamide

C18H19NO2S — CID 18193172

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NC2CCSc3ccccc32)c1
InChIInChI=1S/C18H19NO2S/c1-13-5-4-6-14(11-13)21-12-18(20)19-16-9-10-22-17-8-3-2-7-15(16)17/h2-8,11,16H,9-10,12H2,1H3,(H,19,20)
InChIKeyIHXNFLWFNMJKCT-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.73
Rot. Bonds4

About N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(3-methylphenoxy)acetamide

N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(3-methylphenoxy)acetamide (PubChem CID 18193172) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-(3-methylphenoxy)acetamide
PubChem CID18193172
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NC2CCSc3ccccc32)c1
InChIInChI=1S/C18H19NO2S/c1-13-5-4-6-14(11-13)21-12-18(20)19-16-9-10-22-17-8-3-2-7-15(16)17/h2-8,11,16H,9-10,12H2,1H3,(H,19,20)
InChIKeyIHXNFLWFNMJKCT-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(3-methylphenoxy)acetamide 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-(4-chlorophenoxy)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]acetamide
CID 7678588
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 42945211
2-(3,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2554404
N-(4-hydroxycyclohexyl)-2-(3-methylphenoxy)acetamide
CID 17453727
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 24547798
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(2-methylphenoxy)propanamide
CID 25442457
2-(3-methylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388822
2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114454
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(3-methylphenoxy)acetamide
CID 11920025
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenoxy)acetamide
CID 51247442
N-[2-(aminomethyl)cyclopentyl]-2-(3-methylphenoxy)acetamide
CID 119603622
1-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 51935191

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(3-methylphenoxy)acetamide (CID 18193172) is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NC2CCSc3ccccc32)c1.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(3-methylphenoxy)acetamide?
The InChIKey is IHXNFLWFNMJKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-13-5-4-6-14(11-13)21-12-18(20)19-16-9-10-22-17-8-3-2-7-15(16)17/h2-8,11,16H,9-10,12H2,1H3,(H,19,20).
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(3-methylphenoxy)acetamide?
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(3-methylphenoxy)acetamide has a molecular weight of 313.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 18193172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).