N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide

C16H17NO2S — CID 46524081

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NC1CCOc2ccccc21
InChIInChI=1S/C16H17NO2S/c18-16(8-7-12-4-3-11-20-12)17-14-9-10-19-15-6-2-1-5-13(14)15/h1-6,11,14H,7-10H2,(H,17,18)
InChIKeyBTTPKCYNJLJVFP-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.32
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide

N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide (PubChem CID 46524081) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide
PubChem CID46524081
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NC1CCOc2ccccc21
InChIInChI=1S/C16H17NO2S/c18-16(8-7-12-4-3-11-20-12)17-14-9-10-19-15-6-2-1-5-13(14)15/h1-6,11,14H,7-10H2,(H,17,18)
InChIKeyBTTPKCYNJLJVFP-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-3-yl)-3-thiophen-2-ylpropanamide
CID 110751628
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18115290
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 39966405
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 110709252
N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide
CID 110750844
N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 18164395
3-(4-chlorophenyl)sulfonyl-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 18193013
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate
CID 46608510
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 94017682

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide (CID 46524081) is N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)NC1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is BTTPKCYNJLJVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-16(8-7-12-4-3-11-20-12)17-14-9-10-19-15-6-2-1-5-13(14)15/h1-6,11,14H,7-10H2,(H,17,18).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide?
N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 287.38 g/mol, XLogP of 3.32, 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-chromen-4-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 46524081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).