N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide

C21H20FN3O2S — CID 86919099

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
SMILESCC(Sc1ncc(-c2ccc(F)cc2)[nH]1)C(=O)NC1CCOc2ccccc21
InChIInChI=1S/C21H20FN3O2S/c1-13(20(26)24-17-10-11-27-19-5-3-2-4-16(17)19)28-21-23-12-18(25-21)14-6-8-15(22)9-7-14/h2-9,12-13,17H,10-11H2,1H3,(H,23,25)(H,24,26)
InChIKeyDRTRCOWNOXZTQW-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.34
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide (PubChem CID 86919099) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
PubChem CID86919099
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
SMILESCC(Sc1ncc(-c2ccc(F)cc2)[nH]1)C(=O)NC1CCOc2ccccc21
InChIInChI=1S/C21H20FN3O2S/c1-13(20(26)24-17-10-11-27-19-5-3-2-4-16(17)19)28-21-23-12-18(25-21)14-6-8-15(22)9-7-14/h2-9,12-13,17H,10-11H2,1H3,(H,23,25)(H,24,26)
InChIKeyDRTRCOWNOXZTQW-UHFFFAOYSA-N
XLogP4.34
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 86924670
(2R)-N-(1,3-benzodioxol-5-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
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(2S)-2-methylsulfanyl-N-[(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]propanamide
CID 95280877
(2R)-2-methylsulfanyl-N-[(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]propanamide
CID 95280878
(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
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(2S)-2-bromo-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300419
2-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
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2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 116675622
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94025535
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-phenylphenoxy)propanamide
CID 46421464
(2S,3R)-3-(cyclopentylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxybutanamide
CID 146094021
N-(3,4-dihydro-2H-chromen-4-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide (CID 86919099) is N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide is CC(Sc1ncc(-c2ccc(F)cc2)[nH]1)C(=O)NC1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide?
The InChIKey is DRTRCOWNOXZTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S/c1-13(20(26)24-17-10-11-27-19-5-3-2-4-16(17)19)28-21-23-12-18(25-21)14-6-8-15(22)9-7-14/h2-9,12-13,17H,10-11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide has a molecular weight of 397.48 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 86919099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).