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

C14H18N2OS — CID 79285946

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC1CCSc2ccccc21
InChIInChI=1S/C14H18N2OS/c1-2-8-15-10-14(17)16-12-7-9-18-13-6-4-3-5-11(12)13/h2-6,12,15H,1,7-10H2,(H,16,17)
InChIKeyMVCABGAEOQXJLX-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.12
Rot. Bonds5

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

N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(prop-2-enylamino)acetamide (PubChem CID 79285946) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-(prop-2-enylamino)acetamide
PubChem CID79285946
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC1CCSc2ccccc21
InChIInChI=1S/C14H18N2OS/c1-2-8-15-10-14(17)16-12-7-9-18-13-6-4-3-5-11(12)13/h2-6,12,15H,1,7-10H2,(H,16,17)
InChIKeyMVCABGAEOQXJLX-UHFFFAOYSA-N
XLogP2.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(prop-2-enylamino)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

N-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide
CID 78912235
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-(prop-2-enylsulfamoyl)benzamide
CID 41041142
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)acetamide
CID 8933642
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 39547510
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(propan-2-ylamino)propanamide
CID 60854166
2-(1-adamantyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 4785473
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenyl)sulfanylacetamide
CID 18193181
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 94180682
N-[2-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 9120308
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935385
1-(aminomethyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide
CID 115447459

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(prop-2-enylamino)acetamide (CID 79285946) is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NC1CCSc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(prop-2-enylamino)acetamide?
The InChIKey is MVCABGAEOQXJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-8-15-10-14(17)16-12-7-9-18-13-6-4-3-5-11(12)13/h2-6,12,15H,1,7-10H2,(H,16,17).
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(prop-2-enylamino)acetamide?
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(prop-2-enylamino)acetamide has a molecular weight of 262.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 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-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79285946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).