N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide

C16H17NO2S — CID 110709252

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC1CCOc2ccccc21
InChIInChI=1S/C16H17NO2S/c18-16(10-13-4-3-9-20-13)17-11-12-7-8-19-15-6-2-1-5-14(12)15/h1-6,9,12H,7-8,10-11H2,(H,17,18)
InChIKeySHJBGYQBAMVERY-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.97
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide (PubChem CID 110709252) 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-ylmethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide
PubChem CID110709252
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC1CCOc2ccccc21
InChIInChI=1S/C16H17NO2S/c18-16(10-13-4-3-9-20-13)17-11-12-7-8-19-15-6-2-1-5-14(12)15/h1-6,9,12H,7-8,10-11H2,(H,17,18)
InChIKeySHJBGYQBAMVERY-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride
CID 119762189
N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide
CID 46524081
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide
CID 110709241
3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119950922
N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-2-thiophen-2-ylacetamide
CID 46553517
N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-[methyl-[(3S)-thiolan-3-yl]amino]acetamide
CID 129378849
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine
CID 119146863
1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea
CID 110746942
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-(thian-4-ylmethyl)acetamide
CID 97214483
N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 95984810
4-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methoxybutanamide
CID 120590979

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide (CID 110709252) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCC1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide?
The InChIKey is SHJBGYQBAMVERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-16(10-13-4-3-9-20-13)17-11-12-7-8-19-15-6-2-1-5-14(12)15/h1-6,9,12H,7-8,10-11H2,(H,17,18).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide has a molecular weight of 287.38 g/mol, XLogP of 2.97, 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-ylmethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110709252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).